2-(4-amino-3-chlorophenyl)ethanol

C8H10ClNO — CID 54268347

IUPAC2-(4-amino-3-chlorophenyl)ethanol
SMILESNc1ccc(CCO)cc1Cl
InChIInChI=1S/C8H10ClNO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5,11H,3-4,10H2
InChIKeyRIJCADRTJADSMY-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.46
Rot. Bonds2

About 2-(4-amino-3-chlorophenyl)ethanol

2-(4-amino-3-chlorophenyl)ethanol (PubChem CID 54268347) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)ethanol
PubChem CID54268347
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2-(4-amino-3-chlorophenyl)ethanol
SMILESNc1ccc(CCO)cc1Cl
InChIInChI=1S/C8H10ClNO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5,11H,3-4,10H2
InChIKeyRIJCADRTJADSMY-UHFFFAOYSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-3-chlorophenyl)ethanol 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

4-(2-aminoethyl)-2-chloroaniline
CID 18621974
2-chloro-4-propylaniline
CID 19914844
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
2-(3-chloro-4-propylphenyl)ethanol
CID 105425048
(4-amino-3-chlorophenyl)methyl carbamate
CID 175211951
2-(4-amino-3-chlorophenyl)acetonitrile
CID 18621878
2-(2,5-diamino-4-chlorophenyl)ethanol
CID 10197983
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
4-[2-(4-aminophenyl)ethyl]aniline;2,5-dichlorobenzene-1,4-diamine
CID 159824858
2-chloro-4-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65040911
2-[3-chloro-4-(thiolan-3-yl)phenyl]ethanol
CID 117358971

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)ethanol?
The IUPAC name of 2-(4-amino-3-chlorophenyl)ethanol (CID 54268347) is 2-(4-amino-3-chlorophenyl)ethanol.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)ethanol?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)ethanol is Nc1ccc(CCO)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)ethanol?
The InChIKey is RIJCADRTJADSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5,11H,3-4,10H2.
What are the key properties of 2-(4-amino-3-chlorophenyl)ethanol?
2-(4-amino-3-chlorophenyl)ethanol has a molecular weight of 171.63 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)ethanol is sourced from PubChem (CID 54268347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).