1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine

C11H15NO2 — CID 82527508

IUPAC1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine
SMILESCNCC1CCOc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-12-8-9-6-7-13-10-4-2-3-5-11(10)14-9/h2-5,9,12H,6-8H2,1H3
InChIKeyVMNIZHUXTCGPTA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds2

About 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine

1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine (PubChem CID 82527508) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine
PubChem CID82527508
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine
SMILESCNCC1CCOc2ccccc2O1
InChIInChI=1S/C11H15NO2/c1-12-8-9-6-7-13-10-4-2-3-5-11(10)14-9/h2-5,9,12H,6-8H2,1H3
InChIKeyVMNIZHUXTCGPTA-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine 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

N-(3,4-dihydro-2H-1,5-benzodioxepin-4-ylmethyl)-3-methylbutan-1-amine
CID 82461346
N-(3,4-dihydro-2H-1,5-benzodioxepin-4-ylmethyl)hexan-1-amine
CID 82461321
1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 82461345
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 55170009
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(methylamino)acetamide
CID 60686684
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylguanidine;hydroiodide
CID 111837416
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-methylphenyl)methyl]methanamine
CID 43182095
(3S)-3-propyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 125479547
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine (CID 82527508) is 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine is CNCC1CCOc2ccccc2O1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine?
The InChIKey is VMNIZHUXTCGPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-8-9-6-7-13-10-4-2-3-5-11(10)14-9/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine has a molecular weight of 193.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 82527508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).