3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine

C13H16F3N — CID 64516236

IUPAC3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCC1CCC(N)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3N/c1-9-6-7-12(17,8-9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8,17H2,1H3
InChIKeyOSOUAVQDNMOIAX-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.68
Rot. Bonds1

About 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine

3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 64516236) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID64516236
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCC1CCC(N)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H16F3N/c1-9-6-7-12(17,8-9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8,17H2,1H3
InChIKeyOSOUAVQDNMOIAX-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 64516236) is 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine is CC1CCC(N)(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is OSOUAVQDNMOIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-6-7-12(17,8-9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8,17H2,1H3.
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine?
3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 64516236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).