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

C14H19F3N2O — CID 102709792

IUPACN-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cnccc1C(F)(F)F)C1CCOC1C
InChIInChI=1S/C14H19F3N2O/c1-3-19-13(10-5-7-20-9(10)2)11-8-18-6-4-12(11)14(15,16)17/h4,6,8-10,13,19H,3,5,7H2,1-2H3
InChIKeyKOSTVUFLWRNZSJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.18
Rot. Bonds4

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

N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (PubChem CID 102709792) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
PubChem CID102709792
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
SMILESCCNC(c1cnccc1C(F)(F)F)C1CCOC1C
InChIInChI=1S/C14H19F3N2O/c1-3-19-13(10-5-7-20-9(10)2)11-8-18-6-4-12(11)14(15,16)17/h4,6,8-10,13,19H,3,5,7H2,1-2H3
InChIKeyKOSTVUFLWRNZSJ-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2-methylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 102708274
N-[(2,2-dimethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 107191602
N-[(2-ethyloxolan-3-yl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114104451
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N,2-diethyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708571

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine (CID 102709792) is N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is CCNC(c1cnccc1C(F)(F)F)C1CCOC1C.
What is the InChIKey of N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is KOSTVUFLWRNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-19-13(10-5-7-20-9(10)2)11-8-18-6-4-12(11)14(15,16)17/h4,6,8-10,13,19H,3,5,7H2,1-2H3.
What are the key properties of N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine?
N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 288.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102709792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).