2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol

C23H25NO — CID 2888067

IUPAC2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol
SMILESCCc1ccc(C(O)(CNCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-2-19-13-15-22(16-14-19)23(25,21-11-7-4-8-12-21)18-24-17-20-9-5-3-6-10-20/h3-16,24-25H,2,17-18H2,1H3
InChIKeyCZLGEIAMXALFAS-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.27
Rot. Bonds7

About 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol

2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol (PubChem CID 2888067) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol
PubChem CID2888067
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol
SMILESCCc1ccc(C(O)(CNCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO/c1-2-19-13-15-22(16-14-19)23(25,21-11-7-4-8-12-21)18-24-17-20-9-5-3-6-10-20/h3-16,24-25H,2,17-18H2,1H3
InChIKeyCZLGEIAMXALFAS-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pipradrol
CID 10083
4-Phenyl-1-(phenylmethyl)-4-piperidinol
CID 97333
Pipradrol Hydrochloride
CID 66008
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
1-Benzhydryl-4-p-tolylpiperidin-4-ol
CID 9924923
4-Phenyl-1-(1-phenylethyl)piperidin-4-ol
CID 9925737
1-Benzhydryl-4-phenylpiperidin-4-ol
CID 10269001
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806
4-Phenyl-1-(1-phenylbutyl)piperidin-4-ol
CID 44426807
4-Phenyl-1-(1-phenylpentyl)piperidin-4-ol
CID 44426808
2-(Benzylamino)-1-phenylethanol
CID 229746
4-Piperidinol, 4-(4-methylphenyl)-1-(phenylmethyl)-, hydrochloride (1:1)
CID 198607

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol?
The IUPAC name of 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol (CID 2888067) is 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol.
What is the SMILES notation for 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol?
The canonical SMILES for 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol is CCc1ccc(C(O)(CNCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol?
The InChIKey is CZLGEIAMXALFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-2-19-13-15-22(16-14-19)23(25,21-11-7-4-8-12-21)18-24-17-20-9-5-3-6-10-20/h3-16,24-25H,2,17-18H2,1H3.
What are the key properties of 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol?
2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol has a molecular weight of 331.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(4-ethylphenyl)-1-phenylethanol is sourced from PubChem (CID 2888067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).