4-(1-amino-2-methylpropyl)benzene-1,2-diol

C10H15NO2 — CID 55283190

IUPAC4-(1-amino-2-methylpropyl)benzene-1,2-diol
SMILESCC(C)C(N)c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2/c1-6(2)10(11)7-3-4-8(12)9(13)5-7/h3-6,10,12-13H,11H2,1-2H3
InChIKeyGBUOEVRZVLZBDG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.75
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)benzene-1,2-diol

4-(1-amino-2-methylpropyl)benzene-1,2-diol (PubChem CID 55283190) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)benzene-1,2-diol
PubChem CID55283190
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(1-amino-2-methylpropyl)benzene-1,2-diol
SMILESCC(C)C(N)c1ccc(O)c(O)c1
InChIInChI=1S/C10H15NO2/c1-6(2)10(11)7-3-4-8(12)9(13)5-7/h3-6,10,12-13H,11H2,1-2H3
InChIKeyGBUOEVRZVLZBDG-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
5-(1-amino-2-methylpropyl)benzene-1,2,3-triol
CID 55270365
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558
4-[(1S)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171238841
4-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]benzene-1,2-diol;hydrochloride
CID 171162088
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
[(1S,2S)-1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]azanium
CID 6919631
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-(3-amino-4-hydroxybutan-2-yl)benzene-1,2-diol
CID 83908050

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)benzene-1,2-diol?
The IUPAC name of 4-(1-amino-2-methylpropyl)benzene-1,2-diol (CID 55283190) is 4-(1-amino-2-methylpropyl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)benzene-1,2-diol?
The canonical SMILES for 4-(1-amino-2-methylpropyl)benzene-1,2-diol is CC(C)C(N)c1ccc(O)c(O)c1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)benzene-1,2-diol?
The InChIKey is GBUOEVRZVLZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)10(11)7-3-4-8(12)9(13)5-7/h3-6,10,12-13H,11H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)benzene-1,2-diol?
4-(1-amino-2-methylpropyl)benzene-1,2-diol has a molecular weight of 181.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)benzene-1,2-diol is sourced from PubChem (CID 55283190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).