6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine

C15H14ClNO3 — CID 65126828

IUPAC6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1OCc1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C15H14ClNO3/c16-11-3-1-10(2-4-11)9-20-13-8-15-14(7-12(13)17)18-5-6-19-15/h1-4,7-8H,5-6,9,17H2
InChIKeyOSFIOTZSBMVTRV-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.27
Rot. Bonds3

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

6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 65126828) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID65126828
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESNc1cc2c(cc1OCc1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C15H14ClNO3/c16-11-3-1-10(2-4-11)9-20-13-8-15-14(7-12(13)17)18-5-6-19-15/h1-4,7-8H,5-6,9,17H2
InChIKeyOSFIOTZSBMVTRV-UHFFFAOYSA-N
XLogP3.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.27
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-chlorophenyl)methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65124921
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
7-[(2-bromo-4-chlorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43259997
6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
2-[(4-chlorophenyl)methoxy]-5-nitroaniline
CID 65127132
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 112587056
2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
CID 28521783
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 65126828) is 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is Nc1cc2c(cc1OCc1ccc(Cl)cc1)OCCO2.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is OSFIOTZSBMVTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-3-1-10(2-4-11)9-20-13-8-15-14(7-12(13)17)18-5-6-19-15/h1-4,7-8H,5-6,9,17H2.
What are the key properties of 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 291.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 65126828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).