2-(N-ethyl-2-methyl-6-nitroanilino)ethanol

C11H16N2O3 — CID 115553982

IUPAC2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
SMILESCCN(CCO)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-3-12(7-8-14)11-9(2)5-4-6-10(11)13(15)16/h4-6,14H,3,7-8H2,1-2H3
InChIKeyKBSDSHFNHRGBPV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds5

About 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol

2-(N-ethyl-2-methyl-6-nitroanilino)ethanol (PubChem CID 115553982) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
PubChem CID115553982
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(N-ethyl-2-methyl-6-nitroanilino)ethanol
SMILESCCN(CCO)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-3-12(7-8-14)11-9(2)5-4-6-10(11)13(15)16/h4-6,14H,3,7-8H2,1-2H3
InChIKeyKBSDSHFNHRGBPV-UHFFFAOYSA-N
XLogP1.72
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-3-nitrobenzoic acid
CID 112576860
ethyl 2-(N-ethyl-2-methyl-6-nitroanilino)acetate
CID 115554038
N,N-diethyl-2,6-dimethylaniline;2,4,6-trinitrophenol
CID 154879172
2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
CID 103964839
N-butyl-N-(2-hydroxyethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 61448426
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
N,2-dimethyl-N-(2-methylprop-2-enyl)-6-nitroaniline
CID 133439171
N,N'-dimethyl-N'-(2-methyl-6-nitrophenyl)propane-1,3-diamine
CID 115551200
2-(N-ethyl-2-methylanilino)ethanol sulfate
CID 19002397
2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
CID 9059235
2-(5-bromo-N-ethyl-2-nitroanilino)ethanol
CID 65343582
2-(4-methyl-3-nitro-N-propylanilino)ethanol
CID 62911117

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol?
The IUPAC name of 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol (CID 115553982) is 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol.
What is the SMILES notation for 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol?
The canonical SMILES for 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol is CCN(CCO)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol?
The InChIKey is KBSDSHFNHRGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-12(7-8-14)11-9(2)5-4-6-10(11)13(15)16/h4-6,14H,3,7-8H2,1-2H3.
What are the key properties of 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol?
2-(N-ethyl-2-methyl-6-nitroanilino)ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-methyl-6-nitroanilino)ethanol is sourced from PubChem (CID 115553982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).