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

C15H14ClF3N2 — CID 106900562

IUPAC6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClF3N2/c1-2-10-3-5-11(6-4-10)9-20-14-8-12(15(17,18)19)7-13(16)21-14/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyDBQFBZHJUXAMJD-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.93
Rot. Bonds4

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

6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 106900562) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID106900562
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCCc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClF3N2/c1-2-10-3-5-11(6-4-10)9-20-14-8-12(15(17,18)19)7-13(16)21-14/h3-8H,2,9H2,1H3,(H,20,21)
InChIKeyDBQFBZHJUXAMJD-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
6-chloro-N-[(3-methylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715553
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792
6-N-(furan-3-ylmethyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719417
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 106900562) is 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is CCc1ccc(CNc2cc(C(F)(F)F)cc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DBQFBZHJUXAMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-2-10-3-5-11(6-4-10)9-20-14-8-12(15(17,18)19)7-13(16)21-14/h3-8H,2,9H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.74 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106900562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).