4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine

C11H15F3N2 — CID 64566820

IUPAC4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1cccc(C)n1
InChIInChI=1S/C11H15F3N2/c1-8-4-3-5-10(16-8)9(15-2)6-7-11(12,13)14/h3-5,9,15H,6-7H2,1-2H3
InChIKeyRHSJRTVMXWTZNT-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.99
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine (PubChem CID 64566820) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
PubChem CID64566820
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine
SMILESCNC(CCC(F)(F)F)c1cccc(C)n1
InChIInChI=1S/C11H15F3N2/c1-8-4-3-5-10(16-8)9(15-2)6-7-11(12,13)14/h3-5,9,15H,6-7H2,1-2H3
InChIKeyRHSJRTVMXWTZNT-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(methylamino)-2-(6-methyl-2-pyridinyl)ethanol
CID 55277338
5,5,5-trifluoro-1-(6-methyl-2-pyridinyl)pentan-1-amine
CID 115516744
N,3-dimethyl-1-(6-methyl-2-pyridinyl)hexan-1-amine
CID 63553639
2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 65478941
N-methyl-1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 63555608
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292
N-methyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 82877517
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
2-(difluoromethyl)-6-methylpyridine
CID 54772274
4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
CID 126441988
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 171243254

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine (CID 64566820) is 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine is CNC(CCC(F)(F)F)c1cccc(C)n1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
The InChIKey is RHSJRTVMXWTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8-4-3-5-10(16-8)9(15-2)6-7-11(12,13)14/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine has a molecular weight of 232.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-(6-methyl-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 64566820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).