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

C15H14FN3O2 — CID 79725762

IUPAC1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O2/c16-10-2-6-14(15(8-10)19(20)21)18-13-5-1-9-7-11(17)3-4-12(9)13/h2-4,6-8,13,18H,1,5,17H2
InChIKeyWBOSDYOENVXRPT-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.42
Rot. Bonds3

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

1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79725762) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79725762
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14FN3O2/c16-10-2-6-14(15(8-10)19(20)21)18-13-5-1-9-7-11(17)3-4-12(9)13/h2-4,6-8,13,18H,1,5,17H2
InChIKeyWBOSDYOENVXRPT-UHFFFAOYSA-N
XLogP3.42
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.42
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-(5-bromo-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79722091
1-N-(3-chloro-4-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 82865317
6-fluoro-N-(4-methylsulfonyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133292617
1-N-(3-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79725770
1-N-(3-bromo-5-nitro-4-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103519659
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-fluoro-N-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065284
N-(5-fluoro-2-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62376615
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599097
(3R)-N-(4-fluoro-2-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 25468652
1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79735267

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79725762) is 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is WBOSDYOENVXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-10-2-6-14(15(8-10)19(20)21)18-13-5-1-9-7-11(17)3-4-12(9)13/h2-4,6-8,13,18H,1,5,17H2.
What are the key properties of 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 287.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluoro-2-nitrophenyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79725762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).