1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C16H22F3N — CID 65411611

IUPAC1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCC1CCC(C(NC)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3N/c1-3-11-8-9-12(10-11)15(20-2)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,15,20H,3,8-10H2,1-2H3
InChIKeyCFWMVSIJUUIMGY-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.79
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 65411611) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID65411611
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCC1CCC(C(NC)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H22F3N/c1-3-11-8-9-12(10-11)15(20-2)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,15,20H,3,8-10H2,1-2H3
InChIKeyCFWMVSIJUUIMGY-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107289041
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
[(3,4-dimethylcyclohexyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105312456
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 65411611) is 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CCC1CCC(C(NC)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CFWMVSIJUUIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-11-8-9-12(10-11)15(20-2)13-6-4-5-7-14(13)16(17,18)19/h4-7,11-12,15,20H,3,8-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 65411611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).