1,2-bis(2-nitrophenyl)ethanamine

C14H13N3O4 — CID 145318541

IUPAC1,2-bis(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c15-12(11-6-2-4-8-14(11)17(20)21)9-10-5-1-3-7-13(10)16(18)19/h1-8,12H,9,15H2
InChIKeyZONYRKFXNZUGOL-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.75
Rot. Bonds5

About 1,2-bis(2-nitrophenyl)ethanamine

1,2-bis(2-nitrophenyl)ethanamine (PubChem CID 145318541) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1,2-bis(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1,2-bis(2-nitrophenyl)ethanamine
PubChem CID145318541
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1,2-bis(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c15-12(11-6-2-4-8-14(11)17(20)21)9-10-5-1-3-7-13(10)16(18)19/h1-8,12H,9,15H2
InChIKeyZONYRKFXNZUGOL-UHFFFAOYSA-N
XLogP2.75
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 61079957
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
CID 170874460
(1R)-1-(2-nitrophenyl)butane-1,4-diamine
CID 171198283
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
2-(2-nitrophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153343
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-nitrophenyl)ethanamine?
The IUPAC name of 1,2-bis(2-nitrophenyl)ethanamine (CID 145318541) is 1,2-bis(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1,2-bis(2-nitrophenyl)ethanamine?
The canonical SMILES for 1,2-bis(2-nitrophenyl)ethanamine is NC(Cc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1,2-bis(2-nitrophenyl)ethanamine?
The InChIKey is ZONYRKFXNZUGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-12(11-6-2-4-8-14(11)17(20)21)9-10-5-1-3-7-13(10)16(18)19/h1-8,12H,9,15H2.
What are the key properties of 1,2-bis(2-nitrophenyl)ethanamine?
1,2-bis(2-nitrophenyl)ethanamine has a molecular weight of 287.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-nitrophenyl)ethanamine is sourced from PubChem (CID 145318541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).