2-(4-methyl-2-nitroanilino)ethanol

C9H12N2O3 — CID 10130360

IUPAC2-(4-methyl-2-nitroanilino)ethanol
SMILESCc1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
InChIKeySCZQUWZLEIYDBD-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.31
Rot. Bonds4

About 2-(4-methyl-2-nitroanilino)ethanol

2-(4-methyl-2-nitroanilino)ethanol (PubChem CID 10130360) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(4-methyl-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(4-methyl-2-nitroanilino)ethanol
PubChem CID10130360
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(4-methyl-2-nitroanilino)ethanol
SMILESCc1ccc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
InChIKeySCZQUWZLEIYDBD-UHFFFAOYSA-N
XLogP1.31
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitroanilino)ethanol?
The IUPAC name of 2-(4-methyl-2-nitroanilino)ethanol (CID 10130360) is 2-(4-methyl-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(4-methyl-2-nitroanilino)ethanol?
The canonical SMILES for 2-(4-methyl-2-nitroanilino)ethanol is Cc1ccc(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitroanilino)ethanol?
The InChIKey is SCZQUWZLEIYDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 2-(4-methyl-2-nitroanilino)ethanol?
2-(4-methyl-2-nitroanilino)ethanol has a molecular weight of 196.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitroanilino)ethanol is sourced from PubChem (CID 10130360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).