1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one

C10H13NO2 — CID 82064058

IUPAC1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H13NO2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,11H2,1-2H3
InChIKeyKCRGKYXFBYXNIT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one

1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one (PubChem CID 82064058) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
PubChem CID82064058
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C10H13NO2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,11H2,1-2H3
InChIKeyKCRGKYXFBYXNIT-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-hydroxybenzoic acid
CID 161134080
3-amino-4-hydroxybenzohydrazide;dihydrochloride
CID 22411252
2-methyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 162169030
1-[3-amino-4-(bromomethyl)phenyl]-2-bromopropan-1-one
CID 131091294
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
2-methyl-1-[8-(2-methylpropanoyl)thianthren-2-yl]propan-1-one
CID 118917693
1-(3-amino-4-hydroxyphenyl)-2-hydroxy-3-[1-(4-methoxyphenyl)propan-2-ylamino]propan-1-one
CID 141230436
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
2-methyl-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 13199366

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one (CID 82064058) is 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one?
The InChIKey is KCRGKYXFBYXNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,12H,11H2,1-2H3.
What are the key properties of 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one?
1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one has a molecular weight of 179.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-hydroxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82064058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).