N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline

C14H13F3N2 — CID 55203857

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cccnc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-10-5-4-8-18-13(10)9-19-12-7-3-2-6-11(12)14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyANYWPUULNJKKBE-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.02
Rot. Bonds3

About N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline

N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 55203857) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
PubChem CID55203857
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cccnc1CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2/c1-10-5-4-8-18-13(10)9-19-12-7-3-2-6-11(12)14(15,16)17/h2-8,19H,9H2,1H3
InChIKeyANYWPUULNJKKBE-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 N-[(3-methyl-2-pyridinyl)methyl]-2-(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

2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
2-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 63306544
3-iodo-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 113373429
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 114881034
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650115
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline (CID 55203857) is N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline is Cc1cccnc1CNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is ANYWPUULNJKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-10-5-4-8-18-13(10)9-19-12-7-3-2-6-11(12)14(15,16)17/h2-8,19H,9H2,1H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline?
N-[(3-methyl-2-pyridinyl)methyl]-2-(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 N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).