4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline

C14H13F3N2 — CID 54943459

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCc2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-10-4-5-12(7-13(10)14(15,16)17)19-9-11-3-2-6-18-8-11/h2-8,19H,9H2,1H3
InChIKeyQDXLMGGUDQDWDN-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.02
Rot. Bonds3

About 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline

4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 54943459) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID54943459
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESCc1ccc(NCc2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-10-4-5-12(7-13(10)14(15,16)17)19-9-11-3-2-6-18-8-11/h2-8,19H,9H2,1H3
InChIKeyQDXLMGGUDQDWDN-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
3-N,3-N,4-trimethyl-1-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377275
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
4-methyl-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66410286
4-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)aniline
CID 66117500
3-bromo-N-(pyridin-3-ylmethyl)-4-(trifluoromethoxy)aniline
CID 107335847
4-methyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 81312578
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
1-[4-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfonyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 161238203
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline (CID 54943459) is 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline is Cc1ccc(NCc2cccnc2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is QDXLMGGUDQDWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-10-4-5-12(7-13(10)14(15,16)17)19-9-11-3-2-6-18-8-11/h2-8,19H,9H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline?
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 266.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 54943459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).