1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine

C14H20FN — CID 80693292

IUPAC1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCc1cc(F)cc(C2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C14H20FN/c1-10-6-11(8-12(15)7-10)14(16)5-4-13(2,3)9-14/h6-8H,4-5,9,16H2,1-3H3
InChIKeyCPNQDMSRSKZWTE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.50
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine

1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80693292) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80693292
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCc1cc(F)cc(C2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C14H20FN/c1-10-6-11(8-12(15)7-10)14(16)5-4-13(2,3)9-14/h6-8H,4-5,9,16H2,1-3H3
InChIKeyCPNQDMSRSKZWTE-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine (CID 80693292) is 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine is Cc1cc(F)cc(C2(N)CCC(C)(C)C2)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CPNQDMSRSKZWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-6-11(8-12(15)7-10)14(16)5-4-13(2,3)9-14/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine?
1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80693292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).