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

C12H14F3NO — CID 64505049

IUPAC3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESNC1CCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8-9H,5-7,16H2
InChIKeyNLVOUGPOPLJNAK-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.18
Rot. Bonds2

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

3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (PubChem CID 64505049) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
PubChem CID64505049
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESNC1CCC(c2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8-9H,5-7,16H2
InChIKeyNLVOUGPOPLJNAK-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
CID 64521913
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134
2,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415007
3-methyl-5-[2-(trifluoromethoxy)phenyl]piperidine
CID 115375237
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
CID 174787817
3-(2-ethoxyphenyl)cycloheptan-1-amine
CID 64505330
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropyl]methanone
CID 124574239
N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417703

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (CID 64505049) is 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is NC1CCC(c2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The InChIKey is NLVOUGPOPLJNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)17-11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-4,8-9H,5-7,16H2.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 64505049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).