1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

C16H21F4N — CID 107289041

IUPAC1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N/c1-3-10-4-5-11(8-10)15(21-2)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,3-5,8H2,1-2H3
InChIKeyYXVBYGRBDYAUIL-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.93
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 107289041) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID107289041
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4N/c1-3-10-4-5-11(8-10)15(21-2)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,3-5,8H2,1-2H3
InChIKeyYXVBYGRBDYAUIL-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclopentyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288500
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
1-cyclopropyl-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484588
1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231705
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 107289041) is 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CCC1CCC(C(NC)c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is YXVBYGRBDYAUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-3-10-4-5-11(8-10)15(21-2)12-6-7-14(17)13(9-12)16(18,19)20/h6-7,9-11,15,21H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 303.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107289041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).