1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine

C17H19NO3 — CID 82712701

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
SMILESCC(NOCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c1-13(18-21-12-14-5-3-2-4-6-14)15-7-8-16-17(11-15)20-10-9-19-16/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyKAAAMDRRNSMXOA-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.24
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine (PubChem CID 82712701) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
PubChem CID82712701
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
SMILESCC(NOCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c1-13(18-21-12-14-5-3-2-4-6-14)15-7-8-16-17(11-15)20-10-9-19-16/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyKAAAMDRRNSMXOA-UHFFFAOYSA-N
XLogP3.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-phenylmethoxybutanamide
CID 94345223
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 43026214
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
1-(1,3-benzodioxol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711448
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 33038839
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrol-1-amine
CID 79089648
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
CID 171268731
(1R,2S)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-2-ol
CID 171263056

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine (CID 82712701) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine is CC(NOCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine?
The InChIKey is KAAAMDRRNSMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(18-21-12-14-5-3-2-4-6-14)15-7-8-16-17(11-15)20-10-9-19-16/h2-8,11,13,18H,9-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine has a molecular weight of 285.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine is sourced from PubChem (CID 82712701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).