(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

C8H15Cl2NO — CID 107901192

IUPAC(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCN(C/C=C/Cl)CCCl
InChIInChI=1S/C8H15Cl2NO/c1-12-8-7-11(6-4-10)5-2-3-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyBGAIUHPCDUAIFC-NSCUHMNNSA-N
MW212.12 g/mol
LogP1.93
Rot. Bonds7

About (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 107901192) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID107901192
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESCOCCN(C/C=C/Cl)CCCl
InChIInChI=1S/C8H15Cl2NO/c1-12-8-7-11(6-4-10)5-2-3-9/h2-3H,4-8H2,1H3/b3-2+
InChIKeyBGAIUHPCDUAIFC-NSCUHMNNSA-N
XLogP1.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 107901192) is (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is COCCN(C/C=C/Cl)CCCl.
What is the InChIKey of (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is BGAIUHPCDUAIFC-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-12-8-7-11(6-4-10)5-2-3-9/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 212.12 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 107901192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).