4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol

C15H16ClNO — CID 83975370

IUPAC4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol
SMILESNCC(Cc1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H16ClNO/c16-14-3-1-2-11(9-14)8-13(10-17)12-4-6-15(18)7-5-12/h1-7,9,13,18H,8,10,17H2
InChIKeyYXUAEGOEVGBPHR-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.33
Rot. Bonds4

About 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol

4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol (PubChem CID 83975370) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol
PubChem CID83975370
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol
SMILESNCC(Cc1cccc(Cl)c1)c1ccc(O)cc1
InChIInChI=1S/C15H16ClNO/c16-14-3-1-2-11(9-14)8-13(10-17)12-4-6-15(18)7-5-12/h1-7,9,13,18H,8,10,17H2
InChIKeyYXUAEGOEVGBPHR-UHFFFAOYSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol 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

3-(3-chlorophenyl)-2-pyridin-3-ylpropan-1-amine
CID 83825270
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
3-(3-chlorophenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972824
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol (CID 83975370) is 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol is NCC(Cc1cccc(Cl)c1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol?
The InChIKey is YXUAEGOEVGBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-3-1-2-11(9-14)8-13(10-17)12-4-6-15(18)7-5-12/h1-7,9,13,18H,8,10,17H2.
What are the key properties of 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol?
4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol has a molecular weight of 261.75 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenol is sourced from PubChem (CID 83975370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).