1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine

C15H15N3O2 — CID 79725770

IUPAC1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O2/c16-11-5-6-14-10(8-11)4-7-15(14)17-12-2-1-3-13(9-12)18(19)20/h1-3,5-6,8-9,15,17H,4,7,16H2
InChIKeyKYTAOIHHODVTIM-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.28
Rot. Bonds3

About 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79725770) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79725770
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O2/c16-11-5-6-14-10(8-11)4-7-15(14)17-12-2-1-3-13(9-12)18(19)20/h1-3,5-6,8-9,15,17H,4,7,16H2
InChIKeyKYTAOIHHODVTIM-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 82865317
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762
1-N-(5-bromo-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79722091
1-N-(3-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730721
1-N-(3-bromo-5-nitro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103519659
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-nitro-1H-pyrrole-2-carboxamide
CID 79721869
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 79741931
1-N-(4-ethoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735926
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
3-(3-nitroanilino)cyclopentane-1-carboxylic acid
CID 66031984
4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136978760
N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79725770) is 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is KYTAOIHHODVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-11-5-6-14-10(8-11)4-7-15(14)17-12-2-1-3-13(9-12)18(19)20/h1-3,5-6,8-9,15,17H,4,7,16H2.
What are the key properties of 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 269.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79725770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).