4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine

C13H17F2N — CID 116962663

IUPAC4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyGTSNZCLENVNOTO-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.21
Rot. Bonds2

About 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine

4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine (PubChem CID 116962663) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
PubChem CID116962663
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C13H17F2N/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h4,7-9,11,16H,2-3,5-6H2,1H3
InChIKeyGTSNZCLENVNOTO-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)cyclohexan-1-amine
CID 83261679
4-(2,5-difluorophenyl)cyclohexan-1-ol
CID 116963227
3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
CID 79740032
4-(3-fluorophenyl)-N-methylcyclohexan-1-amine
CID 82283505
5-(2,5-difluorophenyl)-N,1-dimethylpyrrolidin-3-amine
CID 129068214
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105429571
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine (CID 116962663) is 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine is CNC1CCC(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine?
The InChIKey is GTSNZCLENVNOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h4,7-9,11,16H,2-3,5-6H2,1H3.
What are the key properties of 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine?
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116962663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).