N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

C11H15F3N2 — CID 102708033

IUPACN-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCCC(NC)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-4-10(15-2)8-7-16-6-5-9(8)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3
InChIKeyFBPQKMBUABXDFD-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.16
Rot. Bonds4

About N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine

N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (PubChem CID 102708033) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
PubChem CID102708033
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
SMILESCCCC(NC)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-3-4-10(15-2)8-7-16-6-5-9(8)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3
InChIKeyFBPQKMBUABXDFD-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
CID 102710309
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
[3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710527

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine (CID 102708033) is N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is CCCC(NC)c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
The InChIKey is FBPQKMBUABXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-4-10(15-2)8-7-16-6-5-9(8)11(12,13)14/h5-7,10,15H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine?
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine has a molecular weight of 232.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 102708033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).