1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine

C13H18FN — CID 64515524

IUPAC1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1C1(N)CCC(C)C1
InChIInChI=1S/C13H18FN/c1-9-5-6-13(15,8-9)12-7-11(14)4-3-10(12)2/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyJCYXWMZECOGLLH-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.11
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine

1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine (PubChem CID 64515524) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
PubChem CID64515524
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
SMILESCc1ccc(F)cc1C1(N)CCC(C)C1
InChIInChI=1S/C13H18FN/c1-9-5-6-13(15,8-9)12-7-11(14)4-3-10(12)2/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyJCYXWMZECOGLLH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine (CID 64515524) is 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine is Cc1ccc(F)cc1C1(N)CCC(C)C1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is JCYXWMZECOGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-5-6-13(15,8-9)12-7-11(14)4-3-10(12)2/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine?
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64515524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).