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

C7H13Cl2NO — CID 79167811

IUPAC2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine
SMILESCOCC(C)NCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-6(5-11-2)10-4-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyOCPPVDOLTLMBIB-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.93
Rot. Bonds5

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

2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine (PubChem CID 79167811) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine
PubChem CID79167811
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC Name2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine
SMILESCOCC(C)NCC(Cl)=CCl
InChIInChI=1S/C7H13Cl2NO/c1-6(5-11-2)10-4-7(9)3-8/h3,6,10H,4-5H2,1-2H3
InChIKeyOCPPVDOLTLMBIB-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.93
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-methoxypropan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine (CID 79167811) is 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine is COCC(C)NCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine?
The InChIKey is OCPPVDOLTLMBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-6(5-11-2)10-4-7(9)3-8/h3,6,10H,4-5H2,1-2H3.
What are the key properties of 2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine?
2,3-dichloro-N-(1-methoxypropan-2-yl)prop-2-en-1-amine has a molecular weight of 198.09 g/mol, XLogP of 1.93, 5 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-methoxypropan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79167811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).