N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

C15H14ClF3N2 — CID 102715332

IUPACN-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C15H14ClF3N2/c1-2-21(10-11-6-4-3-5-7-11)14-9-12(15(17,18)19)8-13(16)20-14/h3-9H,2,10H2,1H3
InChIKeyLPLNPZIXMHIZJY-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.78
Rot. Bonds4

About N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine

N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715332) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715332
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C15H14ClF3N2/c1-2-21(10-11-6-4-3-5-7-11)14-9-12(15(17,18)19)8-13(16)20-14/h3-9H,2,10H2,1H3
InChIKeyLPLNPZIXMHIZJY-UHFFFAOYSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine 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

6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715736
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
N,N-dibenzyl-6-chloropyridin-2-amine
CID 130159096
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67453556
6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine (CID 102715332) is N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is CCN(Cc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LPLNPZIXMHIZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2/c1-2-21(10-11-6-4-3-5-7-11)14-9-12(15(17,18)19)8-13(16)20-14/h3-9H,2,10H2,1H3.
What are the key properties of N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine?
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.74 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).