7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C17H19NO3 — CID 43259900

IUPAC7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cccc(OCc2cc3c(cc2N)OCCO3)c1C
InChIInChI=1S/C17H19NO3/c1-11-4-3-5-15(12(11)2)21-10-13-8-16-17(9-14(13)18)20-7-6-19-16/h3-5,8-9H,6-7,10,18H2,1-2H3
InChIKeyLNYUHIVFOQCOIZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds3

About 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 43259900) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID43259900
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCc1cccc(OCc2cc3c(cc2N)OCCO3)c1C
InChIInChI=1S/C17H19NO3/c1-11-4-3-5-15(12(11)2)21-10-13-8-16-17(9-14(13)18)20-7-6-19-16/h3-5,8-9H,6-7,10,18H2,1-2H3
InChIKeyLNYUHIVFOQCOIZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-bromo-2-methylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 63216647
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 16786500
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]aniline
CID 61028059
7-[(2-bromo-4-chlorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259997
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
4-[(2,3-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482203
[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62455058
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2,3-dimethylphenoxy)propanamide
CID 39821311
6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43345537
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 43259900) is 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is Cc1cccc(OCc2cc3c(cc2N)OCCO3)c1C.
What is the InChIKey of 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is LNYUHIVFOQCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11-4-3-5-15(12(11)2)21-10-13-8-16-17(9-14(13)18)20-7-6-19-16/h3-5,8-9H,6-7,10,18H2,1-2H3.
What are the key properties of 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 285.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 43259900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).