3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine

C15H15N3O2 — CID 107855416

IUPAC3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine
SMILESNc1cccc(NC2Cc3ccccc3C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c16-13-6-3-7-14(15(13)18(19)20)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9,16H2
InChIKeyDCZVECVABVBAFD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.76
Rot. Bonds3

About 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine

3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine (PubChem CID 107855416) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine
PubChem CID107855416
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine
SMILESNc1cccc(NC2Cc3ccccc3C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c16-13-6-3-7-14(15(13)18(19)20)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9,16H2
InChIKeyDCZVECVABVBAFD-UHFFFAOYSA-N
XLogP2.76
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-nitro-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 80797856
2-nitro-3-N-(oxolan-3-yl)benzene-1,3-diamine
CID 80853654
4-N-(2,3-dihydro-1H-inden-2-yl)-5-nitropyrimidine-4,6-diamine
CID 107855427
3-(3-amino-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258667
3-N-(3-ethyl-2-methylcyclopentyl)-2-nitrobenzene-1,3-diamine
CID 80841593
N-(2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
CID 43512758
3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine
CID 80768030
N-(2-bromo-4-methyl-5-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 104815010
3-N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzene-1,3-diamine
CID 80846970
3-N-(2-methylbutan-2-yl)-2-nitrobenzene-1,3-diamine
CID 80768379
3-N-(3,3-dimethylbutan-2-yl)-2-nitrobenzene-1,3-diamine
CID 104830497
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine (CID 107855416) is 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine is Nc1cccc(NC2Cc3ccccc3C2)c1[N+](=O)[O-].
What is the InChIKey of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine?
The InChIKey is DCZVECVABVBAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-13-6-3-7-14(15(13)18(19)20)17-12-8-10-4-1-2-5-11(10)9-12/h1-7,12,17H,8-9,16H2.
What are the key properties of 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine?
3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine has a molecular weight of 269.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine is sourced from PubChem (CID 107855416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).