3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine

C15H15N3O2 — CID 80768030

IUPAC3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine
SMILESNc1cccc(Nc2ccc3c(c2)CCC3)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c16-13-5-2-6-14(15(13)18(19)20)17-12-8-7-10-3-1-4-11(10)9-12/h2,5-9,17H,1,3-4,16H2
InChIKeyNTQBMUFUDRGFMZ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.41
Rot. Bonds3

About 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine

3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine (PubChem CID 80768030) 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-5-yl)-2-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine
PubChem CID80768030
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine
SMILESNc1cccc(Nc2ccc3c(c2)CCC3)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O2/c16-13-5-2-6-14(15(13)18(19)20)17-12-8-7-10-3-1-4-11(10)9-12/h2,5-9,17H,1,3-4,16H2
InChIKeyNTQBMUFUDRGFMZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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'}

Analyze 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(4-methoxy-3-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80802218
3-N-(3-fluoro-5-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80850965
3-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzene-1,3-diamine
CID 80728847
N-(2,3-dihydro-1H-inden-5-yl)-4-nitro-1-oxidopyridin-1-ium-3-amine
CID 15053109
3-N-(3-chloro-2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80762804
methyl 2-amino-3-(2,3-dihydro-1H-inden-5-ylamino)benzoate
CID 115544378
2-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 28517433
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115125922
3-N-(4-bromo-2,6-dimethylphenyl)-2-nitrobenzene-1,3-diamine
CID 80846970
3-N-(2-chloro-5-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 107638854
3-N-(2,3-dihydro-1H-inden-2-yl)-2-nitrobenzene-1,3-diamine
CID 107855416
3-N-(5-bromo-2-fluorophenyl)-2-nitrobenzene-1,3-diamine
CID 80787648

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine (CID 80768030) is 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine is Nc1cccc(Nc2ccc3c(c2)CCC3)c1[N+](=O)[O-].
What is the InChIKey of 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine?
The InChIKey is NTQBMUFUDRGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-13-5-2-6-14(15(13)18(19)20)17-12-8-7-10-3-1-4-11(10)9-12/h2,5-9,17H,1,3-4,16H2.
What are the key properties of 3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine?
3-N-(2,3-dihydro-1H-inden-5-yl)-2-nitrobenzene-1,3-diamine has a molecular weight of 269.30 g/mol, XLogP of 3.41, 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-5-yl)-2-nitrobenzene-1,3-diamine is sourced from PubChem (CID 80768030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).