2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol

C16H19ClN2O — CID 63272332

IUPAC2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
SMILESNCc1ccc(Cl)cc1NC(CO)Cc1ccccc1
InChIInChI=1S/C16H19ClN2O/c17-14-7-6-13(10-18)16(9-14)19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11,18H2
InChIKeyFDGJDYUOSJSTTE-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.81
Rot. Bonds6

About 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol

2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol (PubChem CID 63272332) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
PubChem CID63272332
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
SMILESNCc1ccc(Cl)cc1NC(CO)Cc1ccccc1
InChIInChI=1S/C16H19ClN2O/c17-14-7-6-13(10-18)16(9-14)19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11,18H2
InChIKeyFDGJDYUOSJSTTE-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-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

2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
CID 107926215
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610113
2-[2-(aminomethyl)-6-methylanilino]-3-phenylpropan-1-ol
CID 107105706
2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
CID 66101497
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
CID 63260686
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
(2S)-2-[(2-chlorophenyl)methylamino]-3-phenylpropan-1-ol
CID 6612703
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol (CID 63272332) is 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol is NCc1ccc(Cl)cc1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol?
The InChIKey is FDGJDYUOSJSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-7-6-13(10-18)16(9-14)19-15(11-20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11,18H2.
What are the key properties of 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol?
2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).