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

C16H22F3N — CID 80705463

IUPAC3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(20-14-8-9-15(2,3)10-14)12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,20H,8-10H2,1-3H3
InChIKeyVAHFJJGETCRJFM-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.93
Rot. Bonds3

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

3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (PubChem CID 80705463) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
PubChem CID80705463
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N/c1-11(20-14-8-9-15(2,3)10-14)12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,20H,8-10H2,1-3H3
InChIKeyVAHFJJGETCRJFM-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine (CID 80705463) is 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is CC(NC1CCC(C)(C)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
The InChIKey is VAHFJJGETCRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-11(20-14-8-9-15(2,3)10-14)12-4-6-13(7-5-12)16(17,18)19/h4-7,11,14,20H,8-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 80705463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).