2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine

C17H19NO3 — CID 43626167

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1COc2ccccc2O1
InChIInChI=1S/C17H19NO3/c1-11-7-8-13(19-2)12(9-11)17(18)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyCOGWLZGQSYAUDJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.84
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine

2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 43626167) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
PubChem CID43626167
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)C1COc2ccccc2O1
InChIInChI=1S/C17H19NO3/c1-11-7-8-13(19-2)12(9-11)17(18)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyCOGWLZGQSYAUDJ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 43131074
3-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63435532
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65352451
2,3-dihydro-1-benzofuran-2-yl-(2,5-dimethoxyphenyl)methanamine
CID 43197229
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
3,4-dihydro-2H-1,5-benzodioxepin-4-yl-(2,4-dimethylphenyl)methanamine
CID 82527484
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
CID 15193417
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626057
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 102763380
2,2,3,3-tetrafluoro-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79660894

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine (CID 43626167) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is COGWLZGQSYAUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-7-8-13(19-2)12(9-11)17(18)16-10-20-14-5-3-4-6-15(14)21-16/h3-9,16-17H,10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 285.34 g/mol, XLogP of 2.84, 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-3-yl-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 43626167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).