2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one

C13H19NO2 — CID 70878581

IUPAC2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3
InChIKeyJVTWUJDYLWWVIV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds3

About 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one

2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one (PubChem CID 70878581) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
PubChem CID70878581
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
SMILESCC(C)(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-13(2,3)12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3
InChIKeyJVTWUJDYLWWVIV-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminopropan-2-yl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 139681701
4-[(4-hydroxyphenyl)methyl]-2,2-dimethylhexan-3-one
CID 67129612
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one (CID 70878581) is 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one is CC(C)(C)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one?
The InChIKey is JVTWUJDYLWWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,3)12(16)11(14)8-9-4-6-10(15)7-5-9/h4-7,11,15H,8,14H2,1-3H3.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one?
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 70878581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).