67292-64-2
C₇H₁₅Cl₂N₂O₂P·261.080 g/mol·CID 115317
IUPAC: 3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol
Also known as: RefChem:1066511, 3-(2-Chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-ol, 3-(2-Chloroethyl)-2-(2-chloroethyl)amino-4-hydroxytetrahydro-2H-1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-(2-chloroethylamino)-1,3,2-oxazaphosphinan-4-ol, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-ol (+3 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
261.080g/mol
Exact Mass
260.024820Da
Monoisotopic Mass
260.024820Da
XLogP
0.8
Polar Surface Area
44.7Ų
Complexity
167
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
5
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 261.1 g/mol
MW ≤ 500
✓ 0.8
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14-11(5-3-9)7(12)1-6-13-14/h7,10,12H,1-6H2
Isomers8 compounds with formula C₇H₁₅Cl₂N₂O₂P
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 2907 · 261.1 g/mol
N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 3690 · 261.1 g/mol
(2R)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554282 · 261.1 g/mol
(2S)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588019 · 261.1 g/mol
(2R)-N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9588020 · 261.1 g/mol
(2S)-N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 9554281 · 261.1 g/mol
N,N-bis(2-chloroethyl)-5,5-dideuterio-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
CID 84061 · 263.1 g/mol
N,N-bis(2-chloroethyl)-5-methyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
CID 98420 · 261.1 g/mol