ethane;8-nitronaphthalen-1-amine

C12H14N2O2 — CID 143448264

IUPACethane;8-nitronaphthalen-1-amine
SMILESCC.Nc1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C10H8N2O2.C2H6/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14;1-2/h1-6H,11H2;1-2H3
InChIKeyZXYHMAAXKGIVJB-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.36
Rot. Bonds1

About ethane;8-nitronaphthalen-1-amine

ethane;8-nitronaphthalen-1-amine (PubChem CID 143448264) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is ethane;8-nitronaphthalen-1-amine.

Molecular Properties

Compound Nameethane;8-nitronaphthalen-1-amine
PubChem CID143448264
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Nameethane;8-nitronaphthalen-1-amine
SMILESCC.Nc1cccc2cccc([N+](=O)[O-])c12
InChIInChI=1S/C10H8N2O2.C2H6/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14;1-2/h1-6H,11H2;1-2H3
InChIKeyZXYHMAAXKGIVJB-UHFFFAOYSA-N
XLogP3.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(2-amino-6-nitrophenyl)diazenyl]-3-nitroaniline
CID 141030925
4-nitrophenanthrene
CID 139058403
2-nitroaniline;sulfane
CID 175331446
2-nitroaniline;dihydrochloride
CID 69408891
5-nitroquinolin-4-amine
CID 53439998
1-bromo-2-methyl-8-nitronaphthalene
CID 15189474
acetylene;2-nitroaniline
CID 142135116
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
8-nitronaphthalene-1-sulfonohydrazide
CID 155193917
1,5,9-trinitrotriphenylene
CID 86227277
3-nitro-2-propylaniline
CID 70010026
N-(2-amino-6-nitrophenyl)acetamide
CID 67947056

Frequently Asked Questions

What is the IUPAC name of ethane;8-nitronaphthalen-1-amine?
The IUPAC name of ethane;8-nitronaphthalen-1-amine (CID 143448264) is ethane;8-nitronaphthalen-1-amine.
What is the SMILES notation for ethane;8-nitronaphthalen-1-amine?
The canonical SMILES for ethane;8-nitronaphthalen-1-amine is CC.Nc1cccc2cccc([N+](=O)[O-])c12.
What is the InChIKey of ethane;8-nitronaphthalen-1-amine?
The InChIKey is ZXYHMAAXKGIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.C2H6/c11-8-5-1-3-7-4-2-6-9(10(7)8)12(13)14;1-2/h1-6H,11H2;1-2H3.
What are the key properties of ethane;8-nitronaphthalen-1-amine?
ethane;8-nitronaphthalen-1-amine has a molecular weight of 218.26 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-nitronaphthalen-1-amine is sourced from PubChem (CID 143448264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).