6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine

C15H14FNO3 — CID 102980224

IUPAC6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCc1ccc(F)cc1Oc1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H14FNO3/c1-9-2-3-10(16)6-12(9)20-13-8-15-14(7-11(13)17)18-4-5-19-15/h2-3,6-8H,4-5,17H2,1H3
InChIKeyVFHSCMPLVKVNGY-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.28
Rot. Bonds2

About 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 102980224) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID102980224
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCc1ccc(F)cc1Oc1cc2c(cc1N)OCCO2
InChIInChI=1S/C15H14FNO3/c1-9-2-3-10(16)6-12(9)20-13-8-15-14(7-11(13)17)18-4-5-19-15/h2-3,6-8H,4-5,17H2,1H3
InChIKeyVFHSCMPLVKVNGY-UHFFFAOYSA-N
XLogP3.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.28
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

6-(2,3,6-trimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43345537
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
6-(4-bromo-3,5-dimethylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 107722585
[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
CID 68661499
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982938
7-amino-6-(2,5-difluorophenoxy)-4H-1,4-benzoxazin-3-one
CID 63268729
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 102980224) is 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is Cc1ccc(F)cc1Oc1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is VFHSCMPLVKVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-2-3-10(16)6-12(9)20-13-8-15-14(7-11(13)17)18-4-5-19-15/h2-3,6-8H,4-5,17H2,1H3.
What are the key properties of 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 275.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 102980224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).