N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine

C11H15BrN2O — CID 80667350

IUPACN-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
SMILESCOc1cccc(N(CCBr)C2CC2)n1
InChIInChI=1S/C11H15BrN2O/c1-15-11-4-2-3-10(13-11)14(8-7-12)9-5-6-9/h2-4,9H,5-8H2,1H3
InChIKeyGMILHRMZAJBXNI-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.45
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine

N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine (PubChem CID 80667350) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
PubChem CID80667350
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
SMILESCOc1cccc(N(CCBr)C2CC2)n1
InChIInChI=1S/C11H15BrN2O/c1-15-11-4-2-3-10(13-11)14(8-7-12)9-5-6-9/h2-4,9H,5-8H2,1H3
InChIKeyGMILHRMZAJBXNI-UHFFFAOYSA-N
XLogP2.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
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-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine (CID 80667350) is N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine is COc1cccc(N(CCBr)C2CC2)n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine?
The InChIKey is GMILHRMZAJBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-15-11-4-2-3-10(13-11)14(8-7-12)9-5-6-9/h2-4,9H,5-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine?
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine is sourced from PubChem (CID 80667350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).