4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol

C10H15NO2 — CID 117278740

IUPAC4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C(C)(C)N)c1O
InChIInChI=1S/C10H15NO2/c1-6-8(12)5-4-7(9(6)13)10(2,3)11/h4-5,12-13H,11H2,1-3H3
InChIKeyBJAPOHDVZZZBJR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.60
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol

4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol (PubChem CID 117278740) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol
PubChem CID117278740
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C(C)(C)N)c1O
InChIInChI=1S/C10H15NO2/c1-6-8(12)5-4-7(9(6)13)10(2,3)11/h4-5,12-13H,11H2,1-3H3
InChIKeyBJAPOHDVZZZBJR-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
CID 117278739
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
4-tert-butyl-3-methylbenzene-1,2-diol
CID 21136547
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
methyl 4-(2,4-dihydroxy-3-methylphenyl)-2,2,4-trimethylpentanoate
CID 143041887
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(4-bromo-2,3-dimethylphenyl)propan-2-amine
CID 84801575
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
4-[1,1-bis(4-hydroxy-2,3-dimethylphenyl)propyl]-2,3-dimethylphenol
CID 154084421
4-bromo-2-methylbenzene-1,3-diol
CID 15004925
4-[2-(2,3,4-trihydroxyphenyl)propan-2-yl]benzene-1,2,3-triol
CID 19739486

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol (CID 117278740) is 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol is Cc1c(O)ccc(C(C)(C)N)c1O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The InChIKey is BJAPOHDVZZZBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-8(12)5-4-7(9(6)13)10(2,3)11/h4-5,12-13H,11H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol has a molecular weight of 181.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 117278740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).