2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride

C17H22ClNO — CID 6459920

IUPAC2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCc1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyCPIYNGWBBRUNGH-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.49
Rot. Bonds6

About 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride

2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 6459920) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID6459920
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCc1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyCPIYNGWBBRUNGH-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride (CID 6459920) is 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride is CCc1ccc(CNCC(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is CPIYNGWBBRUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-14-8-10-15(11-9-14)12-18-13-17(19)16-6-4-3-5-7-16;/h3-11,17-19H,2,12-13H2,1H3;1H.
What are the key properties of 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 6459920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).