3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride

C16H20ClNO2 — CID 170875196

IUPAC3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H19NO2.ClH/c17-16(7-8-18)15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19;/h1-6,9-10,16,18-19H,7-8,11,17H2;1H
InChIKeyRRHZVHXMWOHWGN-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride

3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride (PubChem CID 170875196) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
PubChem CID170875196
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1cccc(-c2cccc(CO)c2)c1
InChIInChI=1S/C16H19NO2.ClH/c17-16(7-8-18)15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19;/h1-6,9-10,16,18-19H,7-8,11,17H2;1H
InChIKeyRRHZVHXMWOHWGN-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride (CID 170875196) is 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride is Cl.NC(CCO)c1cccc(-c2cccc(CO)c2)c1.
What is the InChIKey of 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The InChIKey is RRHZVHXMWOHWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c17-16(7-8-18)15-6-2-5-14(10-15)13-4-1-3-12(9-13)11-19;/h1-6,9-10,16,18-19H,7-8,11,17H2;1H.
What are the key properties of 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170875196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).