(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol

C16H19ClN2O — CID 67502477

IUPAC(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
SMILESN[C@H](CO)CCc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O/c17-13-4-9-16(10-5-13)19-15-7-2-12(3-8-15)1-6-14(18)11-20/h2-5,7-10,14,19-20H,1,6,11,18H2/t14-/m0/s1
InChIKeyBXTPXYZXZPBQMV-AWEZNQCLSA-N
MW290.79 g/mol
LogP3.34
Rot. Bonds6

About (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol

(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol (PubChem CID 67502477) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
PubChem CID67502477
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol
SMILESN[C@H](CO)CCc1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O/c17-13-4-9-16(10-5-13)19-15-7-2-12(3-8-15)1-6-14(18)11-20/h2-5,7-10,14,19-20H,1,6,11,18H2/t14-/m0/s1
InChIKeyBXTPXYZXZPBQMV-AWEZNQCLSA-N
XLogP3.34
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-amino-4-hydroxybutyl]phenyl]-4-chloro-N-methylbenzamide
CID 67151519
N-[4-(3-amino-4-hydroxybutyl)phenyl]-4-chloro-N-methylbenzamide
CID 67151520
1-amino-3-(4-chlorophenyl)propan-1-ol
CID 68900643
2-amino-4-phenylbutan-1-ol
CID 159249603
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
(2S)-2-amino-4-(4-chlorophenyl)sulfanylbutan-1-ol;hydrochloride
CID 70048695

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol?
The IUPAC name of (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol (CID 67502477) is (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol?
The canonical SMILES for (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol is N[C@H](CO)CCc1ccc(Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol?
The InChIKey is BXTPXYZXZPBQMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-4-9-16(10-5-13)19-15-7-2-12(3-8-15)1-6-14(18)11-20/h2-5,7-10,14,19-20H,1,6,11,18H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol?
(2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[4-(4-chloroanilino)phenyl]butan-1-ol is sourced from PubChem (CID 67502477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).