2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine

C8H15Cl2NO — CID 79168116

IUPAC2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine
SMILESCCOCC(C)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-3-12-6-7(2)11-5-8(10)4-9/h4,7,11H,3,5-6H2,1-2H3
InChIKeyDDDLZGGUGODOMS-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.32
Rot. Bonds6

About 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine

2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine (PubChem CID 79168116) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine
PubChem CID79168116
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine
SMILESCCOCC(C)NCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-3-12-6-7(2)11-5-8(10)4-9/h4,7,11H,3,5-6H2,1-2H3
InChIKeyDDDLZGGUGODOMS-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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine (CID 79168116) is 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine is CCOCC(C)NCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine?
The InChIKey is DDDLZGGUGODOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-3-12-6-7(2)11-5-8(10)4-9/h4,7,11H,3,5-6H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine?
2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-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 2,3-dichloro-N-(1-ethoxypropan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79168116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).