1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine

C11H10Cl3N — CID 138652941

IUPAC1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine
SMILESC=C(N)C1C(Cl)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3N/c1-5(15)9-10(11(9)14)6-2-3-7(12)8(13)4-6/h2-4,9-11H,1,15H2
InChIKeyYNDXZKAZSGLALW-UHFFFAOYSA-N
MW262.57 g/mol
LogP3.79
Rot. Bonds2

About 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine

1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine (PubChem CID 138652941) has the molecular formula C11H10Cl3N and a molecular weight of 262.57 g/mol. Its IUPAC name is 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine.

Molecular Properties

Compound Name1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine
PubChem CID138652941
Molecular FormulaC11H10Cl3N
Molecular Weight262.57 g/mol
Exact Mass260.99
IUPAC Name1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine
SMILESC=C(N)C1C(Cl)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3N/c1-5(15)9-10(11(9)14)6-2-3-7(12)8(13)4-6/h2-4,9-11H,1,15H2
InChIKeyYNDXZKAZSGLALW-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine?
The IUPAC name of 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine (CID 138652941) is 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine.
What is the SMILES notation for 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine?
The canonical SMILES for 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine is C=C(N)C1C(Cl)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine?
The InChIKey is YNDXZKAZSGLALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N/c1-5(15)9-10(11(9)14)6-2-3-7(12)8(13)4-6/h2-4,9-11H,1,15H2.
What are the key properties of 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine?
1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine has a molecular weight of 262.57 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine is sourced from PubChem (CID 138652941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).