2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine

C16H22F3N — CID 64908675

IUPAC2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-10-4-9-15(11(10)2)20-12(3)13-5-7-14(8-6-13)16(17,18)19/h5-8,10-12,15,20H,4,9H2,1-3H3
InChIKeyRYPRCUFOYSMZCM-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.79
Rot. Bonds3

About 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine

2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (PubChem CID 64908675) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
PubChem CID64908675
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-10-4-9-15(11(10)2)20-12(3)13-5-7-14(8-6-13)16(17,18)19/h5-8,10-12,15,20H,4,9H2,1-3H3
InChIKeyRYPRCUFOYSMZCM-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (CID 64908675) is 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is CC(NC1CCC(C)C1C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The InChIKey is RYPRCUFOYSMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10-4-9-15(11(10)2)20-12(3)13-5-7-14(8-6-13)16(17,18)19/h5-8,10-12,15,20H,4,9H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64908675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).