3,4-dichloro-2,6-bis(prop-2-enyl)aniline

C12H13Cl2N — CID 88739383

IUPAC3,4-dichloro-2,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(Cl)c(Cl)c(CC=C)c1N
InChIInChI=1S/C12H13Cl2N/c1-3-5-8-7-10(13)11(14)9(6-4-2)12(8)15/h3-4,7H,1-2,5-6,15H2
InChIKeyVYWIFFIZPCIGMI-UHFFFAOYSA-N
MW242.15 g/mol
LogP4.03
Rot. Bonds4

About 3,4-dichloro-2,6-bis(prop-2-enyl)aniline

3,4-dichloro-2,6-bis(prop-2-enyl)aniline (PubChem CID 88739383) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 3,4-dichloro-2,6-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name3,4-dichloro-2,6-bis(prop-2-enyl)aniline
PubChem CID88739383
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name3,4-dichloro-2,6-bis(prop-2-enyl)aniline
SMILESC=CCc1cc(Cl)c(Cl)c(CC=C)c1N
InChIInChI=1S/C12H13Cl2N/c1-3-5-8-7-10(13)11(14)9(6-4-2)12(8)15/h3-4,7H,1-2,5-6,15H2
InChIKeyVYWIFFIZPCIGMI-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2,6-bis(prop-2-enyl)aniline?
The IUPAC name of 3,4-dichloro-2,6-bis(prop-2-enyl)aniline (CID 88739383) is 3,4-dichloro-2,6-bis(prop-2-enyl)aniline.
What is the SMILES notation for 3,4-dichloro-2,6-bis(prop-2-enyl)aniline?
The canonical SMILES for 3,4-dichloro-2,6-bis(prop-2-enyl)aniline is C=CCc1cc(Cl)c(Cl)c(CC=C)c1N.
What is the InChIKey of 3,4-dichloro-2,6-bis(prop-2-enyl)aniline?
The InChIKey is VYWIFFIZPCIGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c1-3-5-8-7-10(13)11(14)9(6-4-2)12(8)15/h3-4,7H,1-2,5-6,15H2.
What are the key properties of 3,4-dichloro-2,6-bis(prop-2-enyl)aniline?
3,4-dichloro-2,6-bis(prop-2-enyl)aniline has a molecular weight of 242.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,6-bis(prop-2-enyl)aniline is sourced from PubChem (CID 88739383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).