4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine

C12H15F2NO — CID 178059917

IUPAC4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
SMILESCc1c(F)cc(CN2CCOCC2)cc1F
InChIInChI=1S/C12H15F2NO/c1-9-11(13)6-10(7-12(9)14)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeyDRWPDXJLXIVNCA-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.11
Rot. Bonds2

About 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine

4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine (PubChem CID 178059917) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
PubChem CID178059917
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
SMILESCc1c(F)cc(CN2CCOCC2)cc1F
InChIInChI=1S/C12H15F2NO/c1-9-11(13)6-10(7-12(9)14)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3
InChIKeyDRWPDXJLXIVNCA-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3,5-difluoro-4-methylphenyl)methyl]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

4-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
CID 177223296
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
1-methylbenzimidazole;4-[(3,4,5-trifluorophenyl)methyl]morpholine
CID 178060135

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine?
The IUPAC name of 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine (CID 178059917) is 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine is Cc1c(F)cc(CN2CCOCC2)cc1F.
What is the InChIKey of 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine?
The InChIKey is DRWPDXJLXIVNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-9-11(13)6-10(7-12(9)14)8-15-2-4-16-5-3-15/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine?
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine has a molecular weight of 227.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 178059917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).