2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine

C15H16N2 — CID 6508892

IUPAC2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
SMILESNc1ccccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H16N2/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12,16H2/b9-6+
InChIKeyUJTDSOLEQLKCHP-RMKNXTFCSA-N
MW224.31 g/mol
LogP3.39
Rot. Bonds4

About 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine

2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine (PubChem CID 6508892) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
PubChem CID6508892
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
SMILESNc1ccccc1NC/C=C/c1ccccc1
InChIInChI=1S/C15H16N2/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12,16H2/b9-6+
InChIKeyUJTDSOLEQLKCHP-RMKNXTFCSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(E)-3-pyridin-3-ylprop-2-enyl]benzene-1,2-diamine
CID 19796340
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
[2-amino-3-[4-(2-aminoanilino)but-2-enylamino]phenyl]methanol
CID 155167947
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 104726942
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
2-nitro-3-(3-phenylprop-2-enylamino)benzenesulfonamide
CID 91941586
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine (CID 6508892) is 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine is Nc1ccccc1NC/C=C/c1ccccc1.
What is the InChIKey of 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine?
The InChIKey is UJTDSOLEQLKCHP-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H16N2/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12,16H2/b9-6+.
What are the key properties of 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine?
2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine is sourced from PubChem (CID 6508892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).