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

C16H16N2O3 — CID 79369623

IUPAC6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc([N+](=O)[O-])cc1)CC2
InChIInChI=1S/C16H16N2O3/c1-21-14-8-2-11-3-9-16(15(11)10-14)17-12-4-6-13(7-5-12)18(19)20/h2,4-8,10,16-17H,3,9H2,1H3
InChIKeyLYLDKLNTADDULQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.70
Rot. Bonds4

About 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79369623) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79369623
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc([N+](=O)[O-])cc1)CC2
InChIInChI=1S/C16H16N2O3/c1-21-14-8-2-11-3-9-16(15(11)10-14)17-12-4-6-13(7-5-12)18(19)20/h2,4-8,10,16-17H,3,9H2,1H3
InChIKeyLYLDKLNTADDULQ-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-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211
6-methoxy-N-(4-propylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369357
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
N-[2-(3-methoxyphenyl)cyclohex-2-en-1-yl]-4-nitroaniline
CID 53495601
(4aS,4bS,10bS,12aS)-3-bromo-8-methoxy-N-(4-nitrophenyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydrochrysen-1-amine
CID 100922698
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 79369623) is 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1ccc([N+](=O)[O-])cc1)CC2.
What is the InChIKey of 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LYLDKLNTADDULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-14-8-2-11-3-9-16(15(11)10-14)17-12-4-6-13(7-5-12)18(19)20/h2,4-8,10,16-17H,3,9H2,1H3.
What are the key properties of 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
6-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 6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).