(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

C11H15NO2 — CID 82527392

IUPAC(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
SMILESCc1cc2c(cc1C)OC(CN)CO2
InChIInChI=1S/C11H15NO2/c1-7-3-10-11(4-8(7)2)14-9(5-12)6-13-10/h3-4,9H,5-6,12H2,1-2H3
InChIKeySRMWFUXAODZZNJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.40
Rot. Bonds1

About (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine

(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine (PubChem CID 82527392) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine.

Molecular Properties

Compound Name(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
PubChem CID82527392
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
SMILESCc1cc2c(cc1C)OC(CN)CO2
InChIInChI=1S/C11H15NO2/c1-7-3-10-11(4-8(7)2)14-9(5-12)6-13-10/h3-4,9H,5-6,12H2,1-2H3
InChIKeySRMWFUXAODZZNJ-UHFFFAOYSA-N
XLogP1.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(aminomethyl)-6-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 67855456
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[(3S)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112467
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-ol;hydrochloride
CID 18923890
N-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-methylpropan-1-amine
CID 82527404
bis[2-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone;hydrobromide
CID 67035730
[(3R)-6-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 139348032
4-[(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazine-1-carboximidamide
CID 70541096
2-ethyl-7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
CID 160872300
[(3S)-7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002111

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The IUPAC name of (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine (CID 82527392) is (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine.
What is the SMILES notation for (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The canonical SMILES for (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine is Cc1cc2c(cc1C)OC(CN)CO2.
What is the InChIKey of (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
The InChIKey is SRMWFUXAODZZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-3-10-11(4-8(7)2)14-9(5-12)6-13-10/h3-4,9H,5-6,12H2,1-2H3.
What are the key properties of (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine?
(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine has a molecular weight of 193.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine is sourced from PubChem (CID 82527392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).