1-(2-amino-5-methylphenyl)-2-hydroxyethanone

C9H11NO2 — CID 56999541

IUPAC1-(2-amino-5-methylphenyl)-2-hydroxyethanone
SMILESCc1ccc(N)c(C(=O)CO)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4,11H,5,10H2,1H3
InChIKeyVQDVBRDEQZPNPQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.75
Rot. Bonds2

About 1-(2-amino-5-methylphenyl)-2-hydroxyethanone

1-(2-amino-5-methylphenyl)-2-hydroxyethanone (PubChem CID 56999541) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2-hydroxyethanone
PubChem CID56999541
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(2-amino-5-methylphenyl)-2-hydroxyethanone
SMILESCc1ccc(N)c(C(=O)CO)c1
InChIInChI=1S/C9H11NO2/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4,11H,5,10H2,1H3
InChIKeyVQDVBRDEQZPNPQ-UHFFFAOYSA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
methyl 6-(2-amino-5-methylphenyl)-6-oxohexanoate
CID 7237193
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
iodo 2-amino-5-methylbenzoate
CID 174945201
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2-hydroxyethanone?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2-hydroxyethanone (CID 56999541) is 1-(2-amino-5-methylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2-hydroxyethanone is Cc1ccc(N)c(C(=O)CO)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2-hydroxyethanone?
The InChIKey is VQDVBRDEQZPNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-2-3-8(10)7(4-6)9(12)5-11/h2-4,11H,5,10H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2-hydroxyethanone?
1-(2-amino-5-methylphenyl)-2-hydroxyethanone has a molecular weight of 165.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 56999541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).