1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine

C15H14ClN3O2 — CID 82865317

IUPAC1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-13-8-11(3-6-15(13)19(20)21)18-14-5-1-9-7-10(17)2-4-12(9)14/h2-4,6-8,14,18H,1,5,17H2
InChIKeyMRJGPRBNJCYNQT-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.93
Rot. Bonds3

About 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 82865317) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID82865317
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c16-13-8-11(3-6-15(13)19(20)21)18-14-5-1-9-7-10(17)2-4-12(9)14/h2-4,6-8,14,18H,1,5,17H2
InChIKeyMRJGPRBNJCYNQT-UHFFFAOYSA-N
XLogP3.93
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.93
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

N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 82863704
1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725770
1-N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 107619042
1-N-(5-bromo-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79722091
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725762
N-(3-chloro-4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774146
1-N-(3-bromo-5-nitro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103519659
N-(3-chloro-4-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82862705
5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 115912374
N-(3-chloro-4-nitrophenyl)oxetan-3-amine
CID 82864147
3-chloro-4-nitroaniline;N-(3-chloro-4-nitrophenyl)methanesulfonamide
CID 161191303
4,5-dichloro-N-(3-methylsulfonyl-4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133401841

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 82865317) is 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is MRJGPRBNJCYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-13-8-11(3-6-15(13)19(20)21)18-14-5-1-9-7-10(17)2-4-12(9)14/h2-4,6-8,14,18H,1,5,17H2.
What are the key properties of 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 303.75 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 82865317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).