N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

C13H17F3N2 — CID 102708274

IUPACN-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cnccc1C(F)(F)F)C1CC1C
InChIInChI=1S/C13H17F3N2/c1-3-18-12(9-6-8(9)2)10-7-17-5-4-11(10)13(14,15)16/h4-5,7-9,12,18H,3,6H2,1-2H3
InChIKeyGBLZBGQMJYKTHU-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine

N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 102708274) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID102708274
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cnccc1C(F)(F)F)C1CC1C
InChIInChI=1S/C13H17F3N2/c1-3-18-12(9-6-8(9)2)10-7-17-5-4-11(10)13(14,15)16/h4-5,7-9,12,18H,3,6H2,1-2H3
InChIKeyGBLZBGQMJYKTHU-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102709792
N-[(2,2-dimethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 107191602
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102708349
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
N-[2H-triazol-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708410
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(2-methyloxan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708424
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
N-[(2-methylthiolan-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102710043

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 102708274) is N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is CCNC(c1cnccc1C(F)(F)F)C1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is GBLZBGQMJYKTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-3-18-12(9-6-8(9)2)10-7-17-5-4-11(10)13(14,15)16/h4-5,7-9,12,18H,3,6H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102708274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).