5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine

C14H14F3N3 — CID 66281298

IUPAC5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
SMILESCc1cnc(NCc2ccc(C(F)(F)F)cc2)c(N)c1
InChIInChI=1S/C14H14F3N3/c1-9-6-12(18)13(19-7-9)20-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQZEIEDSBCWBRQS-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.60
Rot. Bonds3

About 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine

5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine (PubChem CID 66281298) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
PubChem CID66281298
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
SMILESCc1cnc(NCc2ccc(C(F)(F)F)cc2)c(N)c1
InChIInChI=1S/C14H14F3N3/c1-9-6-12(18)13(19-7-9)20-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyQZEIEDSBCWBRQS-UHFFFAOYSA-N
XLogP3.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine 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

3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66278412
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 66278226
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610909
2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436967
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine (CID 66281298) is 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine is Cc1cnc(NCc2ccc(C(F)(F)F)cc2)c(N)c1.
What is the InChIKey of 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine?
The InChIKey is QZEIEDSBCWBRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-6-12(18)13(19-7-9)20-8-10-2-4-11(5-3-10)14(15,16)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine?
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine has a molecular weight of 281.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 66281298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).