N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

C15H15F3N2 — CID 82811109

IUPACN-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C15H15F3N2/c1-10-3-4-12(7-11(10)2)8-19-13-5-6-14(20-9-13)15(16,17)18/h3-7,9,19H,8H2,1-2H3
InChIKeyYZEYGHHJTZFZQM-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.33
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine

N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811109) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811109
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(C(F)(F)F)nc2)cc1C
InChIInChI=1S/C15H15F3N2/c1-10-3-4-12(7-11(10)2)8-19-13-5-6-14(20-9-13)15(16,17)18/h3-7,9,19H,8H2,1-2H3
InChIKeyYZEYGHHJTZFZQM-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[6-(trifluoromethyl)-3-pyridinyl]amino]methyl]benzoic acid
CID 82795240
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-(thiophen-3-ylmethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810835
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]aniline
CID 24734019
N-[(2,6-difluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811102
N-[(3-bromo-4-methylphenyl)methyl]-6-fluoropyridin-3-amine
CID 103934256
4-N-[(3,4-dimethylphenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123846
6-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75435934
N-[(5-tert-butylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82794611
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82811109) is N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is Cc1ccc(CNc2ccc(C(F)(F)F)nc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is YZEYGHHJTZFZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-10-3-4-12(7-11(10)2)8-19-13-5-6-14(20-9-13)15(16,17)18/h3-7,9,19H,8H2,1-2H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 280.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).