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

C15H14ClF3N2 — CID 102716041

IUPAC6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C15H14ClF3N2/c1-10-4-2-3-5-11(10)6-7-20-14-9-12(15(17,18)19)8-13(16)21-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyNWTGLJUCJZIEHI-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.72
Rot. Bonds4

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

6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716041) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716041
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccccc1CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C15H14ClF3N2/c1-10-4-2-3-5-11(10)6-7-20-14-9-12(15(17,18)19)8-13(16)21-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyNWTGLJUCJZIEHI-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.72
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-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716067
6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102716041) is 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1ccccc1CCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NWTGLJUCJZIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-10-4-2-3-5-11(10)6-7-20-14-9-12(15(17,18)19)8-13(16)21-14/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.74 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).