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

C8H15Cl2NO — CID 79168006

IUPAC2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine
SMILESCCOCCCNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-2-12-5-3-4-11-7-8(10)6-9/h6,11H,2-5,7H2,1H3
InChIKeyIHDQQBRSNZKDDH-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.32
Rot. Bonds7

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

2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine (PubChem CID 79168006) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine
PubChem CID79168006
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine
SMILESCCOCCCNCC(Cl)=CCl
InChIInChI=1S/C8H15Cl2NO/c1-2-12-5-3-4-11-7-8(10)6-9/h6,11H,2-5,7H2,1H3
InChIKeyIHDQQBRSNZKDDH-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-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 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine (CID 79168006) is 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine is CCOCCCNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine?
The InChIKey is IHDQQBRSNZKDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-2-12-5-3-4-11-7-8(10)6-9/h6,11H,2-5,7H2,1H3.
What are the key properties of 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine?
2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine has a molecular weight of 212.12 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-ethoxypropyl)prop-2-en-1-amine is sourced from PubChem (CID 79168006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).