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

C15H13Cl2N — CID 113288075

IUPAC3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2N/c1-11(12-5-3-2-4-6-12)10-18-15-8-13(16)7-14(17)9-15/h2-9,18H,1,10H2
InChIKeyJSZHAUHTQINYGH-UHFFFAOYSA-N
MW278.18 g/mol
LogP5.12
Rot. Bonds4

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

3,5-dichloro-N-(2-phenylprop-2-enyl)aniline (PubChem CID 113288075) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
PubChem CID113288075
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H13Cl2N/c1-11(12-5-3-2-4-6-12)10-18-15-8-13(16)7-14(17)9-15/h2-9,18H,1,10H2
InChIKeyJSZHAUHTQINYGH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(2-phenylprop-2-enyl)naphthalen-2-amine
CID 115328408
2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline
CID 113288100
2,3-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 115328098
4-(2-phenylprop-2-enylamino)benzonitrile
CID 113288086
1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
3,5-dichloro-N-(2-phenylprop-2-enyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115328348
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)acetamide
CID 26417607
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54813421
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline?
The IUPAC name of 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline (CID 113288075) is 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline is C=C(CNc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline?
The InChIKey is JSZHAUHTQINYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N/c1-11(12-5-3-2-4-6-12)10-18-15-8-13(16)7-14(17)9-15/h2-9,18H,1,10H2.
What are the key properties of 3,5-dichloro-N-(2-phenylprop-2-enyl)aniline?
3,5-dichloro-N-(2-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-(2-phenylprop-2-enyl)aniline is sourced from PubChem (CID 113288075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).