1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine

C13H17F2N — CID 107512496

IUPAC1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
SMILESCc1ccc(C2(N)CCC(C)C2)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-8-5-6-13(16,7-8)10-4-3-9(2)11(14)12(10)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyYYVIIGKGXOCIFC-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.25
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine

1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine (PubChem CID 107512496) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
PubChem CID107512496
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
SMILESCc1ccc(C2(N)CCC(C)C2)c(F)c1F
InChIInChI=1S/C13H17F2N/c1-8-5-6-13(16,7-8)10-4-3-9(2)11(14)12(10)15/h3-4,8H,5-7,16H2,1-2H3
InChIKeyYYVIIGKGXOCIFC-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 107512504
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
3-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)cyclohexan-1-amine
CID 107512498
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
2,3-difluoro-1-methyl-4-[1,2,2-trifluoro-4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 69029655
1-(3,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64516724
1-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 64516240
3-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-ol
CID 107514414
3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 64516236

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine (CID 107512496) is 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine is Cc1ccc(C2(N)CCC(C)C2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is YYVIIGKGXOCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-5-6-13(16,7-8)10-4-3-9(2)11(14)12(10)15/h3-4,8H,5-7,16H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine?
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 107512496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).