3,5-dichloro-N-(3-phenylprop-2-enyl)aniline

C15H13Cl2N — CID 78605740

IUPAC3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
SMILESClc1cc(Cl)cc(NCC=Cc2ccccc2)c1
InChIInChI=1S/C15H13Cl2N/c16-13-9-14(17)11-15(10-13)18-8-4-7-12-5-2-1-3-6-12/h1-7,9-11,18H,8H2
InChIKeyILZAXJUHXZYWSB-UHFFFAOYSA-N
MW278.18 g/mol
LogP5.12
Rot. Bonds4

About 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline

3,5-dichloro-N-(3-phenylprop-2-enyl)aniline (PubChem CID 78605740) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
PubChem CID78605740
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
SMILESClc1cc(Cl)cc(NCC=Cc2ccccc2)c1
InChIInChI=1S/C15H13Cl2N/c16-13-9-14(17)11-15(10-13)18-8-4-7-12-5-2-1-3-6-12/h1-7,9-11,18H,8H2
InChIKeyILZAXJUHXZYWSB-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.18
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline (CID 78605740) is 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline is Clc1cc(Cl)cc(NCC=Cc2ccccc2)c1.
What is the InChIKey of 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is ILZAXJUHXZYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N/c16-13-9-14(17)11-15(10-13)18-8-4-7-12-5-2-1-3-6-12/h1-7,9-11,18H,8H2.
What are the key properties of 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline?
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline has a molecular weight of 278.18 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 78605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).