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

C21H22ClNO — CID 2978543

IUPAC1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO.ClH/c23-21(20-9-5-2-6-10-20)16-22-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18;/h1-14,21-23H,15-16H2;1H
InChIKeyPRSGIDDKVQCQPY-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.60
Rot. Bonds6

About 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride

1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride (PubChem CID 2978543) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
PubChem CID2978543
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO.ClH/c23-21(20-9-5-2-6-10-20)16-22-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18;/h1-14,21-23H,15-16H2;1H
InChIKeyPRSGIDDKVQCQPY-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride (CID 2978543) is 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride is Cl.OC(CNCc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is PRSGIDDKVQCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.ClH/c23-21(20-9-5-2-6-10-20)16-22-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18;/h1-14,21-23H,15-16H2;1H.
What are the key properties of 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride?
1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(4-phenylphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).