1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine

C13H17F2N — CID 84790278

IUPAC1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
SMILESCc1c(F)cc(C2(N)CCCC2)c(C)c1F
InChIInChI=1S/C13H17F2N/c1-8-10(13(16)5-3-4-6-13)7-11(14)9(2)12(8)15/h7H,3-6,16H2,1-2H3
InChIKeyZDXHLUYONWJXID-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.31
Rot. Bonds1

About 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine

1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine (PubChem CID 84790278) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
PubChem CID84790278
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
SMILESCc1c(F)cc(C2(N)CCCC2)c(C)c1F
InChIInChI=1S/C13H17F2N/c1-8-10(13(16)5-3-4-6-13)7-11(14)9(2)12(8)15/h7H,3-6,16H2,1-2H3
InChIKeyZDXHLUYONWJXID-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-(3,5-difluoro-2,4-dimethylphenyl)cyclobutane-1-carbonitrile
CID 84787841
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
1-(2,3-dimethyl-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117343770
1-(5-chloro-2-fluoro-3-methylphenyl)cyclopentan-1-amine
CID 84791900
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine (CID 84790278) is 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine is Cc1c(F)cc(C2(N)CCCC2)c(C)c1F.
What is the InChIKey of 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is ZDXHLUYONWJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-10(13(16)5-3-4-6-13)7-11(14)9(2)12(8)15/h7H,3-6,16H2,1-2H3.
What are the key properties of 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine?
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84790278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).