(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H19F3N2 — CID 102708268

IUPAC(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCC1CCC(C(N)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2/c1-2-9-3-4-10(7-9)13(18)11-8-19-6-5-12(11)14(15,16)17/h5-6,8-10,13H,2-4,7,18H2,1H3
InChIKeySOUSQVXRBGGYDK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.93
Rot. Bonds3

About (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708268) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708268
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCC1CCC(C(N)c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C14H19F3N2/c1-2-9-3-4-10(7-9)13(18)11-8-19-6-5-12(11)14(15,16)17/h5-6,8-10,13H,2-4,7,18H2,1H3
InChIKeySOUSQVXRBGGYDK-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
cyclopropyl-[3-(trifluoromethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 131637722
[(3-ethylcyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105233566
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
(4-ethylcyclohexyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065687
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611
(3-methyl-1,4-dithian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708450
(4-methylmorpholin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708320
(3-ethylcyclopentyl)-quinolin-8-ylmethanamine
CID 81231414
(3-ethylcyclopentyl)-(4-fluorophenyl)methanamine
CID 65410226

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708268) is (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CCC1CCC(C(N)c2cnccc2C(F)(F)F)C1.
What is the InChIKey of (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is SOUSQVXRBGGYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-9-3-4-10(7-9)13(18)11-8-19-6-5-12(11)14(15,16)17/h5-6,8-10,13H,2-4,7,18H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).