2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride

C15H18ClNO — CID 2968574

IUPAC2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO.ClH/c17-11-10-16-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H
InChIKeyHZQZRMUMDXSDKU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.86
Rot. Bonds5

About 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride

2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride (PubChem CID 2968574) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
PubChem CID2968574
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17NO.ClH/c17-11-10-16-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H
InChIKeyHZQZRMUMDXSDKU-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride (CID 2968574) is 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride is Cl.OCCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is HZQZRMUMDXSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.ClH/c17-11-10-16-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;/h1-9,16-17H,10-12H2;1H.
What are the key properties of 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2968574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).