3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine

C14H18F3NO — CID 80706187

IUPAC3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6H,7-9,18H2,1-2H3
InChIKeyQMTGITBCPMSZJG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.95
Rot. Bonds2

About 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine

3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (PubChem CID 80706187) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
PubChem CID80706187
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C14H18F3NO/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6H,7-9,18H2,1-2H3
InChIKeyQMTGITBCPMSZJG-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
CID 104659061
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
5-(2-methoxyphenyl)spiro[2.3]hexan-5-amine
CID 65008758
3,3-dimethyl-1-quinolin-8-ylcyclopentan-1-amine
CID 81216679
3,3-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-amine
CID 80692559
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (CID 80706187) is 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is CC1(C)CCC(N)(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The InChIKey is QMTGITBCPMSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-12(2)7-8-13(18,9-12)10-5-3-4-6-11(10)19-14(15,16)17/h3-6H,7-9,18H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 80706187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).