4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

C16H16N2O3 — CID 133361598

IUPAC4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc2c1CCC2Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-21-16-4-2-3-13-14(16)9-10-15(13)17-11-5-7-12(8-6-11)18(19)20/h2-8,15,17H,9-10H2,1H3
InChIKeyDNSRINCMHFDWGQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.70
Rot. Bonds4

About 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 133361598) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID133361598
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc2c1CCC2Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-21-16-4-2-3-13-14(16)9-10-15(13)17-11-5-7-12(8-6-11)18(19)20/h2-8,15,17H,9-10H2,1H3
InChIKeyDNSRINCMHFDWGQ-UHFFFAOYSA-N
XLogP3.70
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
[5-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133361775
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 133361710
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
CID 133361670
4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107334564
4-fluoro-N-(2-methyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065489
4-methoxy-N-(2-methyl-5-nitrophenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310029
N-(2-chloro-5-nitrophenyl)sulfonyl-4-methoxy-2,3-dihydro-1H-indene-1-carboxamide
CID 135310065

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 133361598) is 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is COc1cccc2c1CCC2Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DNSRINCMHFDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16-4-2-3-13-14(16)9-10-15(13)17-11-5-7-12(8-6-11)18(19)20/h2-8,15,17H,9-10H2,1H3.
What are the key properties of 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 284.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 133361598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).