1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine

C13H18FN — CID 84779827

IUPAC1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
SMILESCc1ccc(F)c(C)c1C1(N)CCCC1
InChIInChI=1S/C13H18FN/c1-9-5-6-11(14)10(2)12(9)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeySXZOIKUDFRKPOQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.17
Rot. Bonds1

About 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine

1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine (PubChem CID 84779827) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
PubChem CID84779827
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
SMILESCc1ccc(F)c(C)c1C1(N)CCCC1
InChIInChI=1S/C13H18FN/c1-9-5-6-11(14)10(2)12(9)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeySXZOIKUDFRKPOQ-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(3-fluoro-2,6-dimethylphenyl)cyclopropan-1-ol
CID 84768153
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84800343
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
CID 117112819
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine (CID 84779827) is 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine is Cc1ccc(F)c(C)c1C1(N)CCCC1.
What is the InChIKey of 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine?
The InChIKey is SXZOIKUDFRKPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-6-11(14)10(2)12(9)13(15)7-3-4-8-13/h5-6H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine?
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84779827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).