N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine

C12H17NO3 — CID 17056671

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-14-5-4-13-9-10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8,13H,4-7,9H2,1H3
InChIKeyLUZUIIMOGLYQFR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.19
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine (PubChem CID 17056671) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
PubChem CID17056671
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
SMILESCOCCNCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H17NO3/c1-14-5-4-13-9-10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8,13H,4-7,9H2,1H3
InChIKeyLUZUIIMOGLYQFR-UHFFFAOYSA-N
XLogP1.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60870690
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 65300712
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207031
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(methoxymethyl)methanamine
CID 115258498
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17056681
N-[(3-chloro-4-methylphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 106816117
N'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butane-1,4-diamine
CID 60894893
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)ethylamino]propan-2-ol
CID 17056661
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine (CID 17056671) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine is COCCNCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine?
The InChIKey is LUZUIIMOGLYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-5-4-13-9-10-2-3-11-12(8-10)16-7-6-15-11/h2-3,8,13H,4-7,9H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine has a molecular weight of 223.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 17056671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).