ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine

C11H17NO2 — CID 145173589

IUPACethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC.Cc1cc2c(cc1N)OCCO2
InChIInChI=1S/C9H11NO2.C2H6/c1-6-4-8-9(5-7(6)10)12-3-2-11-8;1-2/h4-5H,2-3,10H2,1H3;1-2H3
InChIKeyWHRYSDAJECWERW-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.37
Rot. Bonds

About ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine

ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 145173589) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Nameethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID145173589
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCC.Cc1cc2c(cc1N)OCCO2
InChIInChI=1S/C9H11NO2.C2H6/c1-6-4-8-9(5-7(6)10)12-3-2-11-8;1-2/h4-5H,2-3,10H2,1H3;1-2H3
InChIKeyWHRYSDAJECWERW-UHFFFAOYSA-N
XLogP2.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine 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

ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
6-(4-bromo-3,5-dimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 107722585
7-amino-2,3-dihydro-1,4-benzodioxin-6-ol
CID 43164957
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
6-N-(3-bromo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 107633727
7-(3-bromo-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65283506
6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43345537
6-N-(2,5-difluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 103584526
6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
CID 134530161
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-one
CID 2925580
N-(bromomethyl)-N-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 115262413
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 145173589) is ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is CC.Cc1cc2c(cc1N)OCCO2.
What is the InChIKey of ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is WHRYSDAJECWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-6-4-8-9(5-7(6)10)12-3-2-11-8;1-2/h4-5H,2-3,10H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine?
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 195.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 145173589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).