3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol

C10H15NO2 — CID 117278739

IUPAC3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(C(C)(C)N)c(O)c1O
InChIInChI=1S/C10H15NO2/c1-6-4-5-7(10(2,3)11)9(13)8(6)12/h4-5,12-13H,11H2,1-3H3
InChIKeyCPQALJDOVKNESH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.60
Rot. Bonds1

About 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol

3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol (PubChem CID 117278739) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
PubChem CID117278739
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol
SMILESCc1ccc(C(C)(C)N)c(O)c1O
InChIInChI=1S/C10H15NO2/c1-6-4-5-7(10(2,3)11)9(13)8(6)12/h4-5,12-13H,11H2,1-3H3
InChIKeyCPQALJDOVKNESH-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'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
4-(2-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278740
4-[2-(2,3-dihydroxy-4-methylphenyl)propan-2-yl]benzene-1,2,3-triol
CID 20692397
2-chloro-3-[2-(2-chloro-3-hydroxy-4-methylphenyl)propan-2-yl]-6-methylphenol
CID 139749060
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
CID 84704863
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728
5-(2-aminopropan-2-yl)-2-fluoro-3,6-dimethylphenol
CID 84774489
2-(7-methyl-1,3-benzodioxol-4-yl)propan-2-amine
CID 117283610
6-(2-aminopropan-2-yl)-2-bromo-3,4-dimethylphenol
CID 117398567

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol?
The IUPAC name of 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol (CID 117278739) is 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol is Cc1ccc(C(C)(C)N)c(O)c1O.
What is the InChIKey of 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol?
The InChIKey is CPQALJDOVKNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-4-5-7(10(2,3)11)9(13)8(6)12/h4-5,12-13H,11H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol?
3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-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 3-(2-aminopropan-2-yl)-6-methylbenzene-1,2-diol is sourced from PubChem (CID 117278739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).