6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C14H12ClF3N2 — CID 102715553

IUPAC6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CNc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClF3N2/c1-9-3-2-4-10(5-9)8-19-13-7-11(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZLNFMCUMBPLFHM-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.67
Rot. Bonds3

About 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715553) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715553
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cccc(CNc2cc(C(F)(F)F)cc(Cl)n2)c1
InChIInChI=1S/C14H12ClF3N2/c1-9-3-2-4-10(5-9)8-19-13-7-11(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZLNFMCUMBPLFHM-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
2-chloro-N-[(3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 28542855
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715826
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 139809030
3-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778315
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102715553) is 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1cccc(CNc2cc(C(F)(F)F)cc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZLNFMCUMBPLFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-9-3-2-4-10(5-9)8-19-13-7-11(14(16,17)18)6-12(15)20-13/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.71 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).