4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one

C10H14N2O2 — CID 105448049

IUPAC4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(O)cc1N
InChIInChI=1S/C10H14N2O2/c11-5-1-2-10(14)8-4-3-7(13)6-9(8)12/h3-4,6,13H,1-2,5,11-12H2
InChIKeyHVBVFTVKXCHYJC-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.90
Rot. Bonds4

About 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one

4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one (PubChem CID 105448049) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one
PubChem CID105448049
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one
SMILESNCCCC(=O)c1ccc(O)cc1N
InChIInChI=1S/C10H14N2O2/c11-5-1-2-10(14)8-4-3-7(13)6-9(8)12/h3-4,6,13H,1-2,5,11-12H2
InChIKeyHVBVFTVKXCHYJC-UHFFFAOYSA-N
XLogP0.90
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(2-amino-4-fluorophenyl)butan-1-one
CID 105449885
1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one
CID 118807500
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
1-(2-amino-4-hydroxyphenyl)propan-1-one
CID 22282751
cesium 2-amino-4-hydroxybenzoate
CID 23687369
1-(2-amino-5-hydroxyphenyl)-3-bromopropan-1-one
CID 118835710
5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264606
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
methyl 3-amino-4-(3-aminopropanoyl)benzoate
CID 129264159
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
7-amino-1-(2,4-dimethylphenyl)heptan-1-one
CID 116551380
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one?
The IUPAC name of 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one (CID 105448049) is 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one?
The canonical SMILES for 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one is NCCCC(=O)c1ccc(O)cc1N.
What is the InChIKey of 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one?
The InChIKey is HVBVFTVKXCHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-5-1-2-10(14)8-4-3-7(13)6-9(8)12/h3-4,6,13H,1-2,5,11-12H2.
What are the key properties of 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one?
4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one has a molecular weight of 194.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 105448049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).