N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine

C11H15ClN2O — CID 106505048

IUPACN-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
SMILESCOc1ccc(N(CCCl)C2CC2)nc1
InChIInChI=1S/C11H15ClN2O/c1-15-10-4-5-11(13-8-10)14(7-6-12)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyCHURIAMAGOGXKB-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.30
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine

N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine (PubChem CID 106505048) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
PubChem CID106505048
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine
SMILESCOc1ccc(N(CCCl)C2CC2)nc1
InChIInChI=1S/C11H15ClN2O/c1-15-10-4-5-11(13-8-10)14(7-6-12)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyCHURIAMAGOGXKB-UHFFFAOYSA-N
XLogP2.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-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-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine (CID 106505048) is N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine is COc1ccc(N(CCCl)C2CC2)nc1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine?
The InChIKey is CHURIAMAGOGXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-10-4-5-11(13-8-10)14(7-6-12)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine?
N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-5-methoxypyridin-2-amine is sourced from PubChem (CID 106505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).