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

C16H20ClNO — CID 2980424

IUPAC1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-13(18)11-17-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H
InChIKeyVIXXIFOGGBKQTP-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.25
Rot. Bonds5

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

1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride (PubChem CID 2980424) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride
PubChem CID2980424
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-13(18)11-17-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H
InChIKeyVIXXIFOGGBKQTP-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride (CID 2980424) is 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride is CC(O)CNCc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is VIXXIFOGGBKQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-13(18)11-17-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15;/h2-10,13,17-18H,11-12H2,1H3;1H.
What are the key properties of 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride?
1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 2980424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).