4-(propan-2-ylamino)benzene-1,3-diol

C9H13NO2 — CID 83955270

IUPAC4-(propan-2-ylamino)benzene-1,3-diol
SMILESCC(C)Nc1ccc(O)cc1O
InChIInChI=1S/C9H13NO2/c1-6(2)10-8-4-3-7(11)5-9(8)12/h3-6,10-12H,1-2H3
InChIKeyBTJOTGKSPDRPEK-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.92
Rot. Bonds2

About 4-(propan-2-ylamino)benzene-1,3-diol

4-(propan-2-ylamino)benzene-1,3-diol (PubChem CID 83955270) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(propan-2-ylamino)benzene-1,3-diol.

Molecular Properties

Compound Name4-(propan-2-ylamino)benzene-1,3-diol
PubChem CID83955270
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(propan-2-ylamino)benzene-1,3-diol
SMILESCC(C)Nc1ccc(O)cc1O
InChIInChI=1S/C9H13NO2/c1-6(2)10-8-4-3-7(11)5-9(8)12/h3-6,10-12H,1-2H3
InChIKeyBTJOTGKSPDRPEK-UHFFFAOYSA-N
XLogP1.92
TPSA52.49 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 ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(propan-2-ylamino)phenol
CID 23106838
(2S)-2-(2,5-dihydroxyanilino)propanoic acid
CID 69405550
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
CID 79769236
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
4-[2-methyl-1-(2-methylpropylamino)propyl]benzene-1,3-diol
CID 177411598
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
CID 60924783
4-[[1H-imidazol-5-yl(phenyl)methyl]amino]benzene-1,3-diol
CID 91142049
4-(benzylamino)benzene-1,3-diol
CID 21321415
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)benzene-1,3-diol?
The IUPAC name of 4-(propan-2-ylamino)benzene-1,3-diol (CID 83955270) is 4-(propan-2-ylamino)benzene-1,3-diol.
What is the SMILES notation for 4-(propan-2-ylamino)benzene-1,3-diol?
The canonical SMILES for 4-(propan-2-ylamino)benzene-1,3-diol is CC(C)Nc1ccc(O)cc1O.
What is the InChIKey of 4-(propan-2-ylamino)benzene-1,3-diol?
The InChIKey is BTJOTGKSPDRPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)10-8-4-3-7(11)5-9(8)12/h3-6,10-12H,1-2H3.
What are the key properties of 4-(propan-2-ylamino)benzene-1,3-diol?
4-(propan-2-ylamino)benzene-1,3-diol has a molecular weight of 167.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)benzene-1,3-diol is sourced from PubChem (CID 83955270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).