2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine

C12H17F3N2O — CID 153376648

IUPAC2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1cc(OC)nc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-4-8(7-16-2)9-5-10(12(13,14)15)17-11(6-9)18-3/h5-6,8,16H,4,7H2,1-3H3
InChIKeyRHPNKBYAGJNYTO-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine

2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine (PubChem CID 153376648) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine
PubChem CID153376648
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine
SMILESCCC(CNC)c1cc(OC)nc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-4-8(7-16-2)9-5-10(12(13,14)15)17-11(6-9)18-3/h5-6,8,16H,4,7H2,1-3H3
InChIKeyRHPNKBYAGJNYTO-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
2-[3-(1,1-difluoroethyl)phenyl]-N-methylbutan-1-amine
CID 116992501
2-(3,4-dimethoxy-5-nitrophenyl)-N-methylbutan-1-amine
CID 116987756
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine
CID 82666594
4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 83882637
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
2-ethyl-1-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 116946443
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine?
The IUPAC name of 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine (CID 153376648) is 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine.
What is the SMILES notation for 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine?
The canonical SMILES for 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine is CCC(CNC)c1cc(OC)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine?
The InChIKey is RHPNKBYAGJNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-4-8(7-16-2)9-5-10(12(13,14)15)17-11(6-9)18-3/h5-6,8,16H,4,7H2,1-3H3.
What are the key properties of 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine?
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine has a molecular weight of 262.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine is sourced from PubChem (CID 153376648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).