3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine

C13H17F2NO — CID 79618474

IUPAC3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO/c1-16-9-4-2-5-10(8-9)17-12-7-3-6-11(14)13(12)15/h3,6-7,9-10,16H,2,4-5,8H2,1H3
InChIKeyNHLSPESPWKUMSG-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine

3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine (PubChem CID 79618474) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
PubChem CID79618474
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO/c1-16-9-4-2-5-10(8-9)17-12-7-3-6-11(14)13(12)15/h3,6-7,9-10,16H,2,4-5,8H2,1H3
InChIKeyNHLSPESPWKUMSG-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxyphenoxy)-N-methylcyclohexan-1-amine
CID 79619308
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
1-[2-fluoro-6-(3-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 43285864
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
3-(2-methoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79643718
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine (CID 79618474) is 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine is CNC1CCCC(Oc2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is NHLSPESPWKUMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-9-4-2-5-10(8-9)17-12-7-3-6-11(14)13(12)15/h3,6-7,9-10,16H,2,4-5,8H2,1H3.
What are the key properties of 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine?
3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79618474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).