N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine

C11H15ClN2O — CID 65033812

IUPACN-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(Cl)C2CC2)n1
InChIInChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(14-11)13-7-9(12)8-5-6-8/h2-4,8-9H,5-7H2,1H3,(H,13,14)
InChIKeyYLTGJCDWBISSLG-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.52
Rot. Bonds5

About N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine

N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine (PubChem CID 65033812) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine
PubChem CID65033812
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCC(Cl)C2CC2)n1
InChIInChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(14-11)13-7-9(12)8-5-6-8/h2-4,8-9H,5-7H2,1H3,(H,13,14)
InChIKeyYLTGJCDWBISSLG-UHFFFAOYSA-N
XLogP2.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine (CID 65033812) is N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine is COc1cccc(NCC(Cl)C2CC2)n1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine?
The InChIKey is YLTGJCDWBISSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-4-2-3-10(14-11)13-7-9(12)8-5-6-8/h2-4,8-9H,5-7H2,1H3,(H,13,14).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine?
N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-6-methoxypyridin-2-amine is sourced from PubChem (CID 65033812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).