3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride

C16H20ClNO — CID 2967742

IUPAC3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO.ClH/c18-12-4-11-17-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15;/h1-3,5-10,17-18H,4,11-13H2;1H
InChIKeyRFYAYBXEUKXSIZ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.25
Rot. Bonds6

About 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride

3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride (PubChem CID 2967742) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride
PubChem CID2967742
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO.ClH/c18-12-4-11-17-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15;/h1-3,5-10,17-18H,4,11-13H2;1H
InChIKeyRFYAYBXEUKXSIZ-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-phenylphenyl)methylamino]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-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride (CID 2967742) is 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride is Cl.OCCCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride?
The InChIKey is RFYAYBXEUKXSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c18-12-4-11-17-13-14-7-9-16(10-8-14)15-5-2-1-3-6-15;/h1-3,5-10,17-18H,4,11-13H2;1H.
What are the key properties of 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride?
3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 2967742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).