N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine

C8H15Cl2NO — CID 79167548

IUPACN-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3
InChIKeyGWCLVGUIHWEXIN-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.18
Rot. Bonds6

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

N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine (PubChem CID 79167548) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine
PubChem CID79167548
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC NameN-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3
InChIKeyGWCLVGUIHWEXIN-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine (CID 79167548) is N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine?
The InChIKey is GWCLVGUIHWEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-7(6-12-2)4-11-5-8(10)3-9/h3,7,11H,4-6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine?
N-(2,3-dichloroprop-2-enyl)-3-methoxy-2-methylpropan-1-amine has a molecular weight of 212.12 g/mol, XLogP of 2.18, 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)-3-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79167548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).