N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine

C8H15Cl2NO — CID 79167462

IUPACN-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-3-8(6-12-2)11-5-7(10)4-9/h4,8,11H,3,5-6H2,1-2H3
InChIKeyWCYDKBKPIXPYBS-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.32
Rot. Bonds6

About N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine

N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine (PubChem CID 79167462) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine
PubChem CID79167462
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC NameN-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine
SMILESCCC(COC)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-3-8(6-12-2)11-5-7(10)4-9/h4,8,11H,3,5-6H2,1-2H3
InChIKeyWCYDKBKPIXPYBS-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-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-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine (CID 79167462) is N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine is CCC(COC)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine?
The InChIKey is WCYDKBKPIXPYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-3-8(6-12-2)11-5-7(10)4-9/h4,8,11H,3,5-6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine?
N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine has a molecular weight of 212.12 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 79167462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).