3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine

C12H16FN — CID 112565649

IUPAC3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
SMILESCc1ccccc1C1(F)CCC(N)C1
InChIInChI=1S/C12H16FN/c1-9-4-2-3-5-11(9)12(13)7-6-10(14)8-12/h2-5,10H,6-8,14H2,1H3
InChIKeyBFBAKOFORUTUPK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.67
Rot. Bonds1

About 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine

3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine (PubChem CID 112565649) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
PubChem CID112565649
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine
SMILESCc1ccccc1C1(F)CCC(N)C1
InChIInChI=1S/C12H16FN/c1-9-4-2-3-5-11(9)12(13)7-6-10(14)8-12/h2-5,10H,6-8,14H2,1H3
InChIKeyBFBAKOFORUTUPK-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine (CID 112565649) is 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine is Cc1ccccc1C1(F)CCC(N)C1.
What is the InChIKey of 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine?
The InChIKey is BFBAKOFORUTUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-4-2-3-5-11(9)12(13)7-6-10(14)8-12/h2-5,10H,6-8,14H2,1H3.
What are the key properties of 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine?
3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 112565649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).