3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile

C23H22N2O — CID 44522418

IUPAC3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1cccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O/c24-15-21-12-7-13-22(14-21)23(26)18-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,16-18H2
InChIKeyNDWNOULREJQCFS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.29
Rot. Bonds7

About 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile

3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile (PubChem CID 44522418) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile
PubChem CID44522418
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile
SMILESN#Cc1cccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C23H22N2O/c24-15-21-12-7-13-22(14-21)23(26)18-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,16-18H2
InChIKeyNDWNOULREJQCFS-UHFFFAOYSA-N
XLogP4.29
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(4-Benzylpiperazino)-1-phenyl-1-ethanol
CID 2767001
2-(4-Benzylpiperidin-1-yl)-1-phenylethan-1-ol
CID 5189624
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
2-(Benzylamino)-1,2-diphenylethanol
CID 222507
3-[1-Hydroxy-2-[1-(4-methylphenyl)propan-2-ylamino]ethyl]benzonitrile
CID 44522684
2-[(3R)-3,4-dibenzyl-1,4-diazepan-1-yl]-1-phenylethanol
CID 137642494
2-[(3S)-3,4-dibenzyl-1,4-diazepan-1-yl]-1-phenylethanol
CID 137649537
3-[(4-Phenylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145966516
2-[(4-Biphenylylmethyl)amino]-1-phenylethanol hydrochloride
CID 2978543
1-phenyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 4018753
2-(4-Benzhydrylpiperazin-1-yl)-1-phenylethanol
CID 2809776

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile (CID 44522418) is 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile is N#Cc1cccc(C(O)CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile?
The InChIKey is NDWNOULREJQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c24-15-21-12-7-13-22(14-21)23(26)18-25(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14,23,26H,16-18H2.
What are the key properties of 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile?
3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile has a molecular weight of 342.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dibenzylamino)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 44522418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).