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

C13H18FNO — CID 104704060

IUPAC3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
SMILESCc1ccc(CCC2COCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyZDSMDYXCLODBAQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.06
Rot. Bonds3

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

3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine (PubChem CID 104704060) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
PubChem CID104704060
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
SMILESCc1ccc(CCC2COCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyZDSMDYXCLODBAQ-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
3-(2-phenylethyl)morpholine
CID 54013840
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
3-[2-(3,4-dihydro-2H-1,4-benzothiazin-6-yl)ethyl]morpholine
CID 116999266
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine?
The IUPAC name of 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine (CID 104704060) is 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine is Cc1ccc(CCC2COCCN2)cc1F.
What is the InChIKey of 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine?
The InChIKey is ZDSMDYXCLODBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-2-3-11(8-13(10)14)4-5-12-9-16-7-6-15-12/h2-3,8,12,15H,4-7,9H2,1H3.
What are the key properties of 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine?
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine has a molecular weight of 223.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine is sourced from PubChem (CID 104704060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).