6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C15H14ClF3N2 — CID 102715792

IUPAC6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1ccc(N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClF3N2/c1-3-10-4-6-12(7-5-10)21(2)14-9-11(15(17,18)19)8-13(16)20-14/h4-9H,3H2,1-2H3
InChIKeyCQHVJYFXJHCPHJ-UHFFFAOYSA-N
MW314.74 g/mol
LogP5.08
Rot. Bonds3

About 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715792) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715792
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1ccc(N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClF3N2/c1-3-10-4-6-12(7-5-10)21(2)14-9-11(15(17,18)19)8-13(16)20-14/h4-9H,3H2,1-2H3
InChIKeyCQHVJYFXJHCPHJ-UHFFFAOYSA-N
XLogP5.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.74
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715736
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102715792) is 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CCc1ccc(N(C)c2cc(C(F)(F)F)cc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CQHVJYFXJHCPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-3-10-4-6-12(7-5-10)21(2)14-9-11(15(17,18)19)8-13(16)20-14/h4-9H,3H2,1-2H3.
What are the key properties of 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.74 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).