2-aminoethanol;4-methyl-2-nitroaniline

C9H15N3O3 — CID 22061887

IUPAC2-aminoethanol;4-methyl-2-nitroaniline
SMILESCc1ccc(N)c([N+](=O)[O-])c1.NCCO
InChIInChI=1S/C7H8N2O2.C2H7NO/c1-5-2-3-6(8)7(4-5)9(10)11;3-1-2-4/h2-4H,8H2,1H3;4H,1-3H2
InChIKeyOKMRHFONZFOZMI-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.42
Rot. Bonds2

About 2-aminoethanol;4-methyl-2-nitroaniline

2-aminoethanol;4-methyl-2-nitroaniline (PubChem CID 22061887) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-aminoethanol;4-methyl-2-nitroaniline.

Molecular Properties

Compound Name2-aminoethanol;4-methyl-2-nitroaniline
PubChem CID22061887
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-aminoethanol;4-methyl-2-nitroaniline
SMILESCc1ccc(N)c([N+](=O)[O-])c1.NCCO
InChIInChI=1S/C7H8N2O2.C2H7NO/c1-5-2-3-6(8)7(4-5)9(10)11;3-1-2-4/h2-4H,8H2,1H3;4H,1-3H2
InChIKeyOKMRHFONZFOZMI-UHFFFAOYSA-N
XLogP0.42
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
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

ethyl N-(4-methyl-2-nitrophenyl)carbamate;4-methyl-2-nitroaniline
CID 87985494
1,4-dimethyl-2-nitrobenzene
CID 20849377
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
2-(4-methyl-2-nitrophenyl)sulfanylethanol
CID 43446267
1-(4-methyl-2-nitrophenyl)propane-1,3-diamine
CID 22013780
4-chloro-2-nitroaniline
CID 6979
(4-methylphenyl)methyl 4-amino-3-nitrobenzoate
CID 7569723
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
2-[(4-amino-3-nitrophenyl)methylsulfanyl]ethanol
CID 62188441
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
4-methyl-2-nitrophenolate
CID 6989903
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;4-methyl-2-nitroaniline?
The IUPAC name of 2-aminoethanol;4-methyl-2-nitroaniline (CID 22061887) is 2-aminoethanol;4-methyl-2-nitroaniline.
What is the SMILES notation for 2-aminoethanol;4-methyl-2-nitroaniline?
The canonical SMILES for 2-aminoethanol;4-methyl-2-nitroaniline is Cc1ccc(N)c([N+](=O)[O-])c1.NCCO.
What is the InChIKey of 2-aminoethanol;4-methyl-2-nitroaniline?
The InChIKey is OKMRHFONZFOZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H7NO/c1-5-2-3-6(8)7(4-5)9(10)11;3-1-2-4/h2-4H,8H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;4-methyl-2-nitroaniline?
2-aminoethanol;4-methyl-2-nitroaniline has a molecular weight of 213.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;4-methyl-2-nitroaniline is sourced from PubChem (CID 22061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).