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

C17H19NO3 — CID 43186694

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)OCCO3)ccc1C
InChIInChI=1S/C17H19NO3/c1-11-3-4-12(9-15(11)19-2)17(18)13-5-6-14-16(10-13)21-8-7-20-14/h3-6,9-10,17H,7-8,18H2,1-2H3
InChIKeyIBMWIQJVZLIRFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.82
Rot. Bonds3

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

2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 43186694) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
PubChem CID43186694
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc3c(c2)OCCO3)ccc1C
InChIInChI=1S/C17H19NO3/c1-11-3-4-12(9-15(11)19-2)17(18)13-5-6-14-16(10-13)21-8-7-20-14/h3-6,9-10,17H,7-8,18H2,1-2H3
InChIKeyIBMWIQJVZLIRFM-UHFFFAOYSA-N
XLogP2.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288243
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43297193
(5-bromo-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43148998
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024896
2,3-dihydro-1,4-benzodioxin-6-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561298
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373906
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 16787877

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine (CID 43186694) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)c2ccc3c(c2)OCCO3)ccc1C.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is IBMWIQJVZLIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-3-4-12(9-15(11)19-2)17(18)13-5-6-14-16(10-13)21-8-7-20-14/h3-6,9-10,17H,7-8,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 285.34 g/mol, XLogP of 2.82, 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-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 43186694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).