2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile

C24H22N2O — CID 23585203

IUPAC2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22N2O/c25-16-22-8-4-5-9-23(22)20-12-10-19(11-13-20)17-26-14-15-27-24(18-26)21-6-2-1-3-7-21/h1-13,24H,14-15,17-18H2/t24-/m1/s1
InChIKeyORZNDDKGJNLALY-XMMPIXPASA-N
MW354.45 g/mol
LogP4.80
Rot. Bonds4

About 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile

2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile (PubChem CID 23585203) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile
PubChem CID23585203
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C24H22N2O/c25-16-22-8-4-5-9-23(22)20-12-10-19(11-13-20)17-26-14-15-27-24(18-26)21-6-2-1-3-7-21/h1-13,24H,14-15,17-18H2/t24-/m1/s1
InChIKeyORZNDDKGJNLALY-XMMPIXPASA-N
XLogP4.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile (CID 23585203) is 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile?
The InChIKey is ORZNDDKGJNLALY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N2O/c25-16-22-8-4-5-9-23(22)20-12-10-19(11-13-20)17-26-14-15-27-24(18-26)21-6-2-1-3-7-21/h1-13,24H,14-15,17-18H2/t24-/m1/s1.
What are the key properties of 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile?
2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile has a molecular weight of 354.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-phenylmorpholin-4-yl]methyl]phenyl]benzonitrile is sourced from PubChem (CID 23585203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).