5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine

C20H17ClN2 — CID 150064195

IUPAC5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine
SMILESNc1cc(N)c(C=Cc2ccccc2)c(-c2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN2/c21-19-9-5-4-8-16(19)18-12-15(22)13-20(23)17(18)11-10-14-6-2-1-3-7-14/h1-13H,22-23H2
InChIKeyDNXOLXAJTUOGNR-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.34
Rot. Bonds3

About 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine

5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine (PubChem CID 150064195) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine
PubChem CID150064195
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC Name5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine
SMILESNc1cc(N)c(C=Cc2ccccc2)c(-c2ccccc2Cl)c1
InChIInChI=1S/C20H17ClN2/c21-19-9-5-4-8-16(19)18-12-15(22)13-20(23)17(18)11-10-14-6-2-1-3-7-14/h1-13H,22-23H2
InChIKeyDNXOLXAJTUOGNR-UHFFFAOYSA-N
XLogP5.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine?
The IUPAC name of 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine (CID 150064195) is 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine?
The canonical SMILES for 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine is Nc1cc(N)c(C=Cc2ccccc2)c(-c2ccccc2Cl)c1.
What is the InChIKey of 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine?
The InChIKey is DNXOLXAJTUOGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2/c21-19-9-5-4-8-16(19)18-12-15(22)13-20(23)17(18)11-10-14-6-2-1-3-7-14/h1-13H,22-23H2.
What are the key properties of 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine?
5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine has a molecular weight of 320.82 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(2-phenylethenyl)benzene-1,3-diamine is sourced from PubChem (CID 150064195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).