2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C14H14F3N3O — CID 102708375

IUPAC2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCOc1ccc(CC(N)c2cnccc2C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-13-3-2-9(7-20-13)6-12(18)10-8-19-5-4-11(10)14(15,16)17/h2-5,7-8,12H,6,18H2,1H3
InChIKeyQCMXJDQTZPQKCM-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.75
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 102708375) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID102708375
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCOc1ccc(CC(N)c2cnccc2C(F)(F)F)cn1
InChIInChI=1S/C14H14F3N3O/c1-21-13-3-2-9(7-20-13)6-12(18)10-8-19-5-4-11(10)14(15,16)17/h2-5,7-8,12H,6,18H2,1H3
InChIKeyQCMXJDQTZPQKCM-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
3-Methyl-4-(piperidin-4-yl)-2-{[3-(trifluoromethyl)phenyl]methoxy}pyridine
CID 25263328
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 102708375) is 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is COc1ccc(CC(N)c2cnccc2C(F)(F)F)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is QCMXJDQTZPQKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-13-3-2-9(7-20-13)6-12(18)10-8-19-5-4-11(10)14(15,16)17/h2-5,7-8,12H,6,18H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 297.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102708375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).