2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine

C12H15ClFNO — CID 116927908

IUPAC2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
SMILESCc1cc(Cl)c(CC2CNCCO2)cc1F
InChIInChI=1S/C12H15ClFNO/c1-8-4-11(13)9(6-12(8)14)5-10-7-15-2-3-16-10/h4,6,10,15H,2-3,5,7H2,1H3
InChIKeyMFWHILOVMVFCEV-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.32
Rot. Bonds2

About 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine

2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine (PubChem CID 116927908) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
PubChem CID116927908
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine
SMILESCc1cc(Cl)c(CC2CNCCO2)cc1F
InChIInChI=1S/C12H15ClFNO/c1-8-4-11(13)9(6-12(8)14)5-10-7-15-2-3-16-10/h4,6,10,15H,2-3,5,7H2,1H3
InChIKeyMFWHILOVMVFCEV-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluoro-4-methoxyphenyl)methyl]morpholine
CID 67073211
2-chloro-5-fluoro-N,4-dimethyl-N-(morpholin-2-ylmethyl)benzamide
CID 117045049
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
2-[[2-(4-bromo-2-chloro-6-fluorophenyl)-6-fluoro-5-methylbenzimidazol-1-yl]methyl]morpholine
CID 162729033
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 117045174
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
CID 131145982
2-[[2-(4-bromo-2-chloro-5-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 154965270
2-[2-(2-chloro-4-methoxyphenyl)ethyl]morpholine
CID 116868512
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine?
The IUPAC name of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine (CID 116927908) is 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine is Cc1cc(Cl)c(CC2CNCCO2)cc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine?
The InChIKey is MFWHILOVMVFCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8-4-11(13)9(6-12(8)14)5-10-7-15-2-3-16-10/h4,6,10,15H,2-3,5,7H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine?
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine has a molecular weight of 243.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 116927908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).