(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

C11H15NO3 — CID 131600341

IUPAC(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESCOc1cc([C@H](C)N)cc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-7(12)8-5-9(13-2)11-10(6-8)14-3-4-15-11/h5-7H,3-4,12H2,1-2H3/t7-/m0/s1
InChIKeyHGJPHSLNSNNHGT-ZETCQYMHSA-N
MW209.24 g/mol
LogP1.49
Rot. Bonds2

About (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine

(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (PubChem CID 131600341) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
PubChem CID131600341
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
SMILESCOc1cc([C@H](C)N)cc2c1OCCO2
InChIInChI=1S/C11H15NO3/c1-7(12)8-5-9(13-2)11-10(6-8)14-3-4-15-11/h5-7H,3-4,12H2,1-2H3/t7-/m0/s1
InChIKeyHGJPHSLNSNNHGT-ZETCQYMHSA-N
XLogP1.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
(1S)-2-fluoro-1-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 131312391
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
(1R,2S)-1-amino-1-(7-methoxy-1,3-benzodioxol-5-yl)-5-methylhexan-2-ol;hydrochloride
CID 171266258
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,3-diamine;hydrochloride
CID 171236126
(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
CID 71408272
N-(3,3-dimethylbutan-2-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56805258
(1R,2S)-2-amino-1-cyclopropyl-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 171271899
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)but-3-en-1-amine
CID 171236136
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
1-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 117327727
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115623172

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The IUPAC name of (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine (CID 131600341) is (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is COc1cc([C@H](C)N)cc2c1OCCO2.
What is the InChIKey of (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
The InChIKey is HGJPHSLNSNNHGT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12)8-5-9(13-2)11-10(6-8)14-3-4-15-11/h5-7H,3-4,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine?
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine has a molecular weight of 209.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine is sourced from PubChem (CID 131600341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).