N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C14H13F3N2 — CID 29047903

IUPACN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H13F3N2/c1-10-2-4-11(5-3-10)8-18-13-7-6-12(9-19-13)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyKMCSDVSAHDCPSS-UHFFFAOYSA-N
MW266.27 g/mol
LogP4.02
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 29047903) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID29047903
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC NameN-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H13F3N2/c1-10-2-4-11(5-3-10)8-18-13-7-6-12(9-19-13)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyKMCSDVSAHDCPSS-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-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 29047903) is N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccc(CNc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KMCSDVSAHDCPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-10-2-4-11(5-3-10)8-18-13-7-6-12(9-19-13)14(15,16)17/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine 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-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 29047903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).