2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine

C16H16N2O2 — CID 175678734

IUPAC2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine
SMILESO=[N+]([O-])c1ccc(CCN/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-10,12,17H,11,13H2/b12-10+
InChIKeySEDBPGKOJPYQBJ-ZRDIBKRKSA-N
MW268.32 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine

2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine (PubChem CID 175678734) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine
PubChem CID175678734
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine
SMILESO=[N+]([O-])c1ccc(CCN/C=C/c2ccccc2)cc1
InChIInChI=1S/C16H16N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-10,12,17H,11,13H2/b12-10+
InChIKeySEDBPGKOJPYQBJ-ZRDIBKRKSA-N
XLogP3.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(E)-3-(4-nitrophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]prop-2-enamide
CID 51254594
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
2-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976525
N-[2-(4-nitrophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340877
1-butyl-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 59899422
2-bromo-N-[2-(4-nitrophenyl)ethyl]aniline
CID 43519934
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine?
The IUPAC name of 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine (CID 175678734) is 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine is O=[N+]([O-])c1ccc(CCN/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine?
The InChIKey is SEDBPGKOJPYQBJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-18(20)16-8-6-15(7-9-16)11-13-17-12-10-14-4-2-1-3-5-14/h1-10,12,17H,11,13H2/b12-10+.
What are the key properties of 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine?
2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine is sourced from PubChem (CID 175678734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).