5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

C16H15ClN2O2 — CID 115912374

IUPAC5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-2-7-16(19(20)21)15(8-10)18-14-6-3-11-9-12(17)4-5-13(11)14/h2,4-5,7-9,14,18H,3,6H2,1H3
InChIKeyZZQNGSMUTAHOEK-UHFFFAOYSA-N
MW302.76 g/mol
LogP4.66
Rot. Bonds3

About 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115912374) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115912374
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CCc3cc(Cl)ccc32)c1
InChIInChI=1S/C16H15ClN2O2/c1-10-2-7-16(19(20)21)15(8-10)18-14-6-3-11-9-12(17)4-5-13(11)14/h2,4-5,7-9,14,18H,3,6H2,1H3
InChIKeyZZQNGSMUTAHOEK-UHFFFAOYSA-N
XLogP4.66
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-(5-bromo-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79722091
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
2-chloro-N-(4-methyl-2-nitrophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81234540
5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 78997541
1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 82865317
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
N-chloro-5-methyl-2-nitroaniline
CID 13272651
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284
5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 43686013
4-chloro-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 107682000
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine (CID 115912374) is 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc([N+](=O)[O-])c(NC2CCc3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZZQNGSMUTAHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-2-7-16(19(20)21)15(8-10)18-14-6-3-11-9-12(17)4-5-13(11)14/h2,4-5,7-9,14,18H,3,6H2,1H3.
What are the key properties of 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 302.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115912374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).