4-Decylaniline
C₁₆H₂₇N·233.390 g/mol·CID 92309
IUPAC: 4-decylaniline
Also known as: 37529-30-9, 4-n-Decylaniline, Benzenamine, 4-decyl-, p-Decylaniline, p-n-Decylaniline (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
233.390g/mol
Exact Mass
233.214350Da
Monoisotopic Mass
233.214350Da
XLogP
6.1
Polar Surface Area
26.0Ų
Complexity
159
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
1
Rotatable Bonds
9
Heavy Atoms
17
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 233.4 g/mol
MW ≤ 500
✗ 6.1
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH400Very toxic to aquatic life
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
Isomers8 compounds with formula C₁₆H₂₇N
N-benzyl-N-methyloctan-1-amine
CID 46295 · 233.4 g/mol
N,N-bis(3-methylbutyl)aniline
CID 84428 · 233.4 g/mol
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadecane
CID 44265998 · 233.4 g/mol
4-(4-tert-butylphenyl)-N,N-dimethylbutan-1-amine
CID 46889753 · 233.4 g/mol
1-(1-adamantyl)cyclohexan-1-amine
CID 66645766 · 233.4 g/mol
N-butyl-N-(2-phenylethyl)butan-1-amine
CID 79842 · 233.4 g/mol
4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 103365 · 233.4 g/mol
4-(8-methylnonyl)aniline
CID 110201 · 233.4 g/mol