4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine

C18H21NO — CID 71608225

IUPAC4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
SMILESCc1cccc([C@H](c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C18H21NO/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)19-10-12-20-13-11-19/h2-9,14,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyPYWFFPCCWUCZOT-SFHVURJKSA-N
MW267.37 g/mol
LogP3.42
Rot. Bonds3

About 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine

4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine (PubChem CID 71608225) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
PubChem CID71608225
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine
SMILESCc1cccc([C@H](c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C18H21NO/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)19-10-12-20-13-11-19/h2-9,14,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyPYWFFPCCWUCZOT-SFHVURJKSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine 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

1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1,1-dimethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium
CID 3030341
1,1-diethyl-4-[(3-methylphenyl)-phenylmethyl]piperazin-1-ium iodide
CID 3030334
(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 97229499
4-[phenyl(pyridin-3-yl)methyl]morpholine
CID 132574107
2-methyl-5-[(3-methylphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807712
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
2-[morpholin-4-yl(phenyl)methyl]aniline
CID 160604739
4-[1-benzofuran-2-yl-(4-methylphenyl)methyl]morpholine
CID 13048630
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine?
The IUPAC name of 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine (CID 71608225) is 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine?
The canonical SMILES for 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine is Cc1cccc([C@H](c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine?
The InChIKey is PYWFFPCCWUCZOT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO/c1-15-6-5-9-17(14-15)18(16-7-3-2-4-8-16)19-10-12-20-13-11-19/h2-9,14,18H,10-13H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine?
4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine has a molecular weight of 267.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-(3-methylphenyl)-phenylmethyl]morpholine is sourced from PubChem (CID 71608225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).