N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C12H15F3N2 — CID 105157245

IUPACN-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H15F3N2/c1-2-16-11(8-3-4-8)10-6-5-9(7-17-10)12(13,14)15/h5-8,11,16H,2-4H2,1H3
InChIKeyIHZXBXZLNHYYDB-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.16
Rot. Bonds4

About N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 105157245) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID105157245
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C12H15F3N2/c1-2-16-11(8-3-4-8)10-6-5-9(7-17-10)12(13,14)15/h5-8,11,16H,2-4H2,1H3
InChIKeyIHZXBXZLNHYYDB-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105157141
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
[2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105311054
N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105100554
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
(3,4-dimethylcyclohexyl)-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 105103094
N-ethyl-2-(furan-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105177738
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
[2-(oxan-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105298819
N-[3-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758303

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 105157245) is N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is IHZXBXZLNHYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-2-16-11(8-3-4-8)10-6-5-9(7-17-10)12(13,14)15/h5-8,11,16H,2-4H2,1H3.
What are the key properties of N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 244.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105157245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).