3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine

C13H17ClFNO — CID 116928267

IUPAC3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
SMILESCc1cc(Cl)c(CCC2COCCN2)cc1F
InChIInChI=1S/C13H17ClFNO/c1-9-6-12(14)10(7-13(9)15)2-3-11-8-17-5-4-16-11/h6-7,11,16H,2-5,8H2,1H3
InChIKeyREKXCLFDIFRTIQ-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine

3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine (PubChem CID 116928267) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
PubChem CID116928267
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
SMILESCc1cc(Cl)c(CCC2COCCN2)cc1F
InChIInChI=1S/C13H17ClFNO/c1-9-6-12(14)10(7-13(9)15)2-3-11-8-17-5-4-16-11/h6-7,11,16H,2-5,8H2,1H3
InChIKeyREKXCLFDIFRTIQ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine
CID 104704094
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
2-[2-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methylpiperidine
CID 116686192
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
CID 116928232
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-morpholin-3-ylmethanamine
CID 117044833

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine?
The IUPAC name of 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine (CID 116928267) is 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine is Cc1cc(Cl)c(CCC2COCCN2)cc1F.
What is the InChIKey of 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine?
The InChIKey is REKXCLFDIFRTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9-6-12(14)10(7-13(9)15)2-3-11-8-17-5-4-16-11/h6-7,11,16H,2-5,8H2,1H3.
What are the key properties of 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine?
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine has a molecular weight of 257.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine is sourced from PubChem (CID 116928267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).