2-(benzylamino)-1-(4-phenylphenyl)ethanol

C21H21NO — CID 12526842

IUPAC2-(benzylamino)-1-(4-phenylphenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO/c23-21(16-22-15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21-23H,15-16H2
InChIKeyUJATXPBHYIOXES-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.18
Rot. Bonds6

About 2-(benzylamino)-1-(4-phenylphenyl)ethanol

2-(benzylamino)-1-(4-phenylphenyl)ethanol (PubChem CID 12526842) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-phenylphenyl)ethanol
PubChem CID12526842
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-(benzylamino)-1-(4-phenylphenyl)ethanol
SMILESOC(CNCc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO/c23-21(16-22-15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21-23H,15-16H2
InChIKeyUJATXPBHYIOXES-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
[4-[2-(benzylamino)-1-hydroxyethyl]phenyl] methanesulfonate
CID 91353118
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
[4-[2-(benzylamino)-1-hydroxyethyl]phenyl] benzenesulfonate
CID 90688320
2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(4-phenylphenyl)ethanol (CID 12526842) is 2-(benzylamino)-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(4-phenylphenyl)ethanol is OC(CNCc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-phenylphenyl)ethanol?
The InChIKey is UJATXPBHYIOXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-21(16-22-15-17-7-3-1-4-8-17)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h1-14,21-23H,15-16H2.
What are the key properties of 2-(benzylamino)-1-(4-phenylphenyl)ethanol?
2-(benzylamino)-1-(4-phenylphenyl)ethanol has a molecular weight of 303.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 12526842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).