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

C16H17NO3 — CID 43186674

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c1-18-13-5-3-2-4-12(13)16(17)11-6-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9,17H2,1H3
InChIKeyOTYNNTNFNXRHQL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds3

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

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine (PubChem CID 43186674) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
PubChem CID43186674
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H17NO3/c1-18-13-5-3-2-4-12(13)16(17)11-6-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9,17H2,1H3
InChIKeyOTYNNTNFNXRHQL-UHFFFAOYSA-N
XLogP2.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
(5-bromo-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43148998
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
CID 105141089
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373906
2,3-dihydro-1-benzofuran-5-yl-(2-methoxy-4-methylphenyl)methanamine
CID 106791668

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine (CID 43186674) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine?
The InChIKey is OTYNNTNFNXRHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-18-13-5-3-2-4-12(13)16(17)11-6-7-14-15(10-11)20-9-8-19-14/h2-7,10,16H,8-9,17H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine has a molecular weight of 271.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 43186674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).