2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride

C17H22ClNO — CID 2970010

IUPAC2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyNSHRFQCDCDHGPB-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.64
Rot. Bonds6

About 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride

2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride (PubChem CID 2970010) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride
PubChem CID2970010
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride
SMILESCCC(CO)NCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyNSHRFQCDCDHGPB-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride?
The IUPAC name of 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride (CID 2970010) is 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride?
The canonical SMILES for 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride is CCC(CO)NCc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride?
The InChIKey is NSHRFQCDCDHGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-17(13-19)18-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H.
What are the key properties of 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride?
2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylamino]butan-1-ol;hydrochloride is sourced from PubChem (CID 2970010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).