2-(3-amino-N-methyl-2-nitroanilino)ethanol

C9H13N3O3 — CID 80771722

IUPAC2-(3-amino-N-methyl-2-nitroanilino)ethanol
SMILESCN(CCO)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-11(5-6-13)8-4-2-3-7(10)9(8)12(14)15/h2-4,13H,5-6,10H2,1H3
InChIKeyVCLUFJFIEVQIAJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.61
Rot. Bonds4

About 2-(3-amino-N-methyl-2-nitroanilino)ethanol

2-(3-amino-N-methyl-2-nitroanilino)ethanol (PubChem CID 80771722) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(3-amino-N-methyl-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-N-methyl-2-nitroanilino)ethanol
PubChem CID80771722
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-(3-amino-N-methyl-2-nitroanilino)ethanol
SMILESCN(CCO)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-11(5-6-13)8-4-2-3-7(10)9(8)12(14)15/h2-4,13H,5-6,10H2,1H3
InChIKeyVCLUFJFIEVQIAJ-UHFFFAOYSA-N
XLogP0.61
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-amino-N-methyl-2-nitroanilino)ethyl-methylcarbamic acid
CID 69230228
3-(3-amino-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918451
2-[3-(ethylamino)-N-methyl-2-nitroanilino]ethanol
CID 80771729
5-(3-fluoro-N-methyl-2-nitroanilino)pentan-1-ol
CID 107201821
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
2-(3-amino-2-nitro-N-propylanilino)-N-methylacetamide
CID 80806176
3-N-(3,5-dimethylphenyl)-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80817426
N'-(3-chloro-2-nitrophenyl)-N'-methylpropane-1,3-diamine
CID 104839457
(3-amino-2-nitrophenyl)-phenylsulfamic acid
CID 150131186
3-[methyl(2-methylsulfonylethyl)amino]-2-nitrobenzoic acid
CID 115542570
3-[2-hydroxyethyl(methyl)amino]-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 139713740
3-N-ethyl-3-N-(2-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80754221

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methyl-2-nitroanilino)ethanol?
The IUPAC name of 2-(3-amino-N-methyl-2-nitroanilino)ethanol (CID 80771722) is 2-(3-amino-N-methyl-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(3-amino-N-methyl-2-nitroanilino)ethanol?
The canonical SMILES for 2-(3-amino-N-methyl-2-nitroanilino)ethanol is CN(CCO)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-N-methyl-2-nitroanilino)ethanol?
The InChIKey is VCLUFJFIEVQIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11(5-6-13)8-4-2-3-7(10)9(8)12(14)15/h2-4,13H,5-6,10H2,1H3.
What are the key properties of 2-(3-amino-N-methyl-2-nitroanilino)ethanol?
2-(3-amino-N-methyl-2-nitroanilino)ethanol has a molecular weight of 211.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methyl-2-nitroanilino)ethanol is sourced from PubChem (CID 80771722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).