1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C16H17F3N2 — CID 105140563

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1cccc(C)c1C
InChIInChI=1S/C16H17F3N2/c1-10-5-4-6-13(11(10)2)15(20-3)14-8-7-12(9-21-14)16(17,18)19/h4-9,15,20H,1-3H3
InChIKeyNCTBBKPJPDDHPE-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.03
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105140563) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105140563
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1cccc(C)c1C
InChIInChI=1S/C16H17F3N2/c1-10-5-4-6-13(11(10)2)15(20-3)14-8-7-12(9-21-14)16(17,18)19/h4-9,15,20H,1-3H3
InChIKeyNCTBBKPJPDDHPE-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105099537
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105087924
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 79712824
N-methyl-1-(5-methyl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105173821
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(2,3-dimethylphenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222475
4,4,4-trifluoro-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156292

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105140563) is 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is CNC(c1ccc(C(F)(F)F)cn1)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is NCTBBKPJPDDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-10-5-4-6-13(11(10)2)15(20-3)14-8-7-12(9-21-14)16(17,18)19/h4-9,15,20H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 294.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105140563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).