N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2O — CID 106242955

IUPACN-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(Cl)CCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14ClF3N2O/c1-18-7-9(12)4-5-16-10-3-2-8(6-17-10)11(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYZDGZTRGEWQJOD-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.16
Rot. Bonds6

About N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine

N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 106242955) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID106242955
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC NameN-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCOCC(Cl)CCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H14ClF3N2O/c1-18-7-9(12)4-5-16-10-3-2-8(6-17-10)11(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)
InChIKeyYZDGZTRGEWQJOD-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxybutyl)-5-(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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine (CID 106242955) is N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine is COCC(Cl)CCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YZDGZTRGEWQJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-18-7-9(12)4-5-16-10-3-2-8(6-17-10)11(13,14)15/h2-3,6,9H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 282.69 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106242955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).