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

C14H18F3NO — CID 64908104

IUPACN,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCNC1CCC(c2ccccc2OC(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO/c1-9-10(7-8-12(9)18-2)11-5-3-4-6-13(11)19-14(15,16)17/h3-6,9-10,12,18H,7-8H2,1-2H3
InChIKeyZITFTFMHSBTERK-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.69
Rot. Bonds3

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

N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (PubChem CID 64908104) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
PubChem CID64908104
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCNC1CCC(c2ccccc2OC(F)(F)F)C1C
InChIInChI=1S/C14H18F3NO/c1-9-10(7-8-12(9)18-2)11-5-3-4-6-13(11)19-14(15,16)17/h3-6,9-10,12,18H,7-8H2,1-2H3
InChIKeyZITFTFMHSBTERK-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908329
2-[2-[2-(trifluoromethoxy)phenyl]cyclobutyl]pyridine
CID 173469072
N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417703
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
1,2-dimethyl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine;hydroiodide
CID 111464814
3-(2,3-dihydro-1-benzofuran-7-yl)-N,2-dimethylcyclopentan-1-amine
CID 114746981
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
3-(2,6-difluorophenyl)-N,2-dimethylcyclopentan-1-amine
CID 64908109
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862
[2-[2-(trifluoromethoxy)phenyl]cycloheptyl]methanamine
CID 81009543
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241
2-methyl-1-propan-2-yl-3-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]guanidine
CID 111772028

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The IUPAC name of N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine (CID 64908104) is N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is CNC1CCC(c2ccccc2OC(F)(F)F)C1C.
What is the InChIKey of N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The InChIKey is ZITFTFMHSBTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-10(7-8-12(9)18-2)11-5-3-4-6-13(11)19-14(15,16)17/h3-6,9-10,12,18H,7-8H2,1-2H3.
What are the key properties of N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 64908104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).