1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine

C13H19FN2 — CID 79459008

IUPAC1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)cc1F
InChIInChI=1S/C13H19FN2/c1-9-5-6-12(8-13(9)14)16-11-4-2-3-10(15)7-11/h5-6,8,10-11,16H,2-4,7,15H2,1H3
InChIKeyFLCJKLSMLXYOAM-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.82
Rot. Bonds2

About 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine

1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine (PubChem CID 79459008) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
PubChem CID79459008
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
SMILESCc1ccc(NC2CCCC(N)C2)cc1F
InChIInChI=1S/C13H19FN2/c1-9-5-6-12(8-13(9)14)16-11-4-2-3-10(15)7-11/h5-6,8,10-11,16H,2-4,7,15H2,1H3
InChIKeyFLCJKLSMLXYOAM-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
1-N-[4-bromo-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458840
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
4-bromo-N-(3-ethylcyclohexyl)-3-fluoroaniline
CID 65435528
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634
4-(3-fluoro-4-methylanilino)azepan-2-one
CID 63904631
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine (CID 79459008) is 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine is Cc1ccc(NC2CCCC(N)C2)cc1F.
What is the InChIKey of 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine?
The InChIKey is FLCJKLSMLXYOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-5-6-12(8-13(9)14)16-11-4-2-3-10(15)7-11/h5-6,8,10-11,16H,2-4,7,15H2,1H3.
What are the key properties of 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine?
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine has a molecular weight of 222.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).