(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine

C24H24ClNO — CID 23585201

IUPAC(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine
SMILESCc1ccc(Cl)c(-c2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)c1
InChIInChI=1S/C24H24ClNO/c1-18-7-12-23(25)22(15-18)20-10-8-19(9-11-20)16-26-13-14-27-24(17-26)21-5-3-2-4-6-21/h2-12,15,24H,13-14,16-17H2,1H3/t24-/m1/s1
InChIKeyQSZFGTLCEHGVPQ-XMMPIXPASA-N
MW377.92 g/mol
LogP5.89
Rot. Bonds4

About (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine

(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine (PubChem CID 23585201) has the molecular formula C24H24ClNO and a molecular weight of 377.92 g/mol. Its IUPAC name is (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine
PubChem CID23585201
Molecular FormulaC24H24ClNO
Molecular Weight377.92 g/mol
Exact Mass377.15
IUPAC Name(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine
SMILESCc1ccc(Cl)c(-c2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)c1
InChIInChI=1S/C24H24ClNO/c1-18-7-12-23(25)22(15-18)20-10-8-19(9-11-20)16-26-13-14-27-24(17-26)21-5-3-2-4-6-21/h2-12,15,24H,13-14,16-17H2,1H3/t24-/m1/s1
InChIKeyQSZFGTLCEHGVPQ-XMMPIXPASA-N
XLogP5.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine 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 (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine (CID 23585201) is (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine is Cc1ccc(Cl)c(-c2ccc(CN3CCO[C@@H](c4ccccc4)C3)cc2)c1.
What is the InChIKey of (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine?
The InChIKey is QSZFGTLCEHGVPQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24ClNO/c1-18-7-12-23(25)22(15-18)20-10-8-19(9-11-20)16-26-13-14-27-24(17-26)21-5-3-2-4-6-21/h2-12,15,24H,13-14,16-17H2,1H3/t24-/m1/s1.
What are the key properties of (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine?
(2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine has a molecular weight of 377.92 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[4-(2-chloro-5-methylphenyl)phenyl]methyl]-2-phenylmorpholine is sourced from PubChem (CID 23585201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).