2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol

C10H13NO3 — CID 117285168

IUPAC2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
SMILESCc1cc2c(c(C(N)CO)c1)OCO2
InChIInChI=1S/C10H13NO3/c1-6-2-7(8(11)4-12)10-9(3-6)13-5-14-10/h2-3,8,12H,4-5,11H2,1H3
InChIKeyJUCJYNQZSQEZSL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds2

About 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol

2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol (PubChem CID 117285168) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
PubChem CID117285168
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
SMILESCc1cc2c(c(C(N)CO)c1)OCO2
InChIInChI=1S/C10H13NO3/c1-6-2-7(8(11)4-12)10-9(3-6)13-5-14-10/h2-3,8,12H,4-5,11H2,1H3
InChIKeyJUCJYNQZSQEZSL-UHFFFAOYSA-N
XLogP0.72
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(6-methyl-4H-1,3-benzodioxin-8-yl)ethanol
CID 83884323
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 55277961
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
2-amino-2-(6-bromo-5-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117437407
2-amino-2-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84693061
(2S)-2-amino-2-(7-chloro-1,3-benzodioxol-5-yl)ethanol
CID 93471728
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
3-amino-3-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]propanoic acid
CID 117390641
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
2-amino-2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 117319704
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
CID 117283708

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol (CID 117285168) is 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol is Cc1cc2c(c(C(N)CO)c1)OCO2.
What is the InChIKey of 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol?
The InChIKey is JUCJYNQZSQEZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-2-7(8(11)4-12)10-9(3-6)13-5-14-10/h2-3,8,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol?
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol has a molecular weight of 195.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol is sourced from PubChem (CID 117285168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).