3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride

C16H20ClNO2 — CID 170875194

IUPAC3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C16H19NO2.ClH/c17-16(8-9-18)13-6-3-5-12(10-13)15-7-2-1-4-14(15)11-19;/h1-7,10,16,18-19H,8-9,11,17H2;1H
InChIKeyVTXTVKZWDMFQDG-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.65
Rot. Bonds5

About 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride

3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride (PubChem CID 170875194) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
PubChem CID170875194
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1cccc(-c2ccccc2CO)c1
InChIInChI=1S/C16H19NO2.ClH/c17-16(8-9-18)13-6-3-5-12(10-13)15-7-2-1-4-14(15)11-19;/h1-7,10,16,18-19H,8-9,11,17H2;1H
InChIKeyVTXTVKZWDMFQDG-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride (CID 170875194) is 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride is Cl.NC(CCO)c1cccc(-c2ccccc2CO)c1.
What is the InChIKey of 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
The InChIKey is VTXTVKZWDMFQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c17-16(8-9-18)13-6-3-5-12(10-13)15-7-2-1-4-14(15)11-19;/h1-7,10,16,18-19H,8-9,11,17H2;1H.
What are the key properties of 3-amino-3-[3-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride?
3-amino-3-[3-[2-(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-[2-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 170875194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).