3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine

C14H16N4 — CID 70561484

IUPAC3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
SMILESNc1cccc(/C=C/c2cccc(N)c2N)c1N
InChIInChI=1S/C14H16N4/c15-11-5-1-3-9(13(11)17)7-8-10-4-2-6-12(16)14(10)18/h1-8H,15-18H2/b8-7+
InChIKeyDCKQRHOYGDPVTD-BQYQJAHWSA-N
MW240.31 g/mol
LogP2.19
Rot. Bonds2

About 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine

3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine (PubChem CID 70561484) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
PubChem CID70561484
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine
SMILESNc1cccc(/C=C/c2cccc(N)c2N)c1N
InChIInChI=1S/C14H16N4/c15-11-5-1-3-9(13(11)17)7-8-10-4-2-6-12(16)14(10)18/h1-8H,15-18H2/b8-7+
InChIKeyDCKQRHOYGDPVTD-BQYQJAHWSA-N
XLogP2.19
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-diaminophenyl)prop-2-enoic acid
CID 169460294
3-(2-phenylethenyl)benzene-1,2-diamine;propan-1-ol
CID 174558761
3-(2-phenylethenyl)benzene-1,2-diamine;propane-1-thiol
CID 161183014
2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
CID 67351270
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
CID 88516542
2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
CID 70478273
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;zinc
CID 90019674
3-methylbenzene-1,2-diamine
CID 162019775
2,3-diaminophenol;dihydrochloride
CID 18401751

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine?
The IUPAC name of 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine (CID 70561484) is 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine?
The canonical SMILES for 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine is Nc1cccc(/C=C/c2cccc(N)c2N)c1N.
What is the InChIKey of 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine?
The InChIKey is DCKQRHOYGDPVTD-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16N4/c15-11-5-1-3-9(13(11)17)7-8-10-4-2-6-12(16)14(10)18/h1-8H,15-18H2/b8-7+.
What are the key properties of 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine?
3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,3-diaminophenyl)ethenyl]benzene-1,2-diamine is sourced from PubChem (CID 70561484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).