2-(1-aminopropan-2-yl)benzene-1,4-diol

C9H13NO2 — CID 3028773

IUPAC2-(1-aminopropan-2-yl)benzene-1,4-diol
SMILESCC(CN)c1cc(O)ccc1O
InChIInChI=1S/C9H13NO2/c1-6(5-10)8-4-7(11)2-3-9(8)12/h2-4,6,11-12H,5,10H2,1H3
InChIKeyAXOBVZKJOOCZJL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.16
Rot. Bonds2

About 2-(1-aminopropan-2-yl)benzene-1,4-diol

2-(1-aminopropan-2-yl)benzene-1,4-diol (PubChem CID 3028773) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)benzene-1,4-diol
PubChem CID3028773
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(1-aminopropan-2-yl)benzene-1,4-diol
SMILESCC(CN)c1cc(O)ccc1O
InChIInChI=1S/C9H13NO2/c1-6(5-10)8-4-7(11)2-3-9(8)12/h2-4,6,11-12H,5,10H2,1H3
InChIKeyAXOBVZKJOOCZJL-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
2-(1-aminopropan-2-yl)phenol
CID 3028046
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-[(1S)-1-amino-2-methylpropyl]benzene-1,4-diol
CID 55253395
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(1-aminopropan-2-yl)benzene-1,4-diol (CID 3028773) is 2-(1-aminopropan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1-aminopropan-2-yl)benzene-1,4-diol is CC(CN)c1cc(O)ccc1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)benzene-1,4-diol?
The InChIKey is AXOBVZKJOOCZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(5-10)8-4-7(11)2-3-9(8)12/h2-4,6,11-12H,5,10H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)benzene-1,4-diol?
2-(1-aminopropan-2-yl)benzene-1,4-diol has a molecular weight of 167.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 3028773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).