7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine

C15H14FNO3 — CID 166073967

IUPAC7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESNc1cc(COc2cccc(F)c2)cc2c1OCCO2
InChIInChI=1S/C15H14FNO3/c16-11-2-1-3-12(8-11)20-9-10-6-13(17)15-14(7-10)18-4-5-19-15/h1-3,6-8H,4-5,9,17H2
InChIKeyFQPZBZMJLVGZQB-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.76
Rot. Bonds3

About 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine

7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine (PubChem CID 166073967) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine.

Molecular Properties

Compound Name7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
PubChem CID166073967
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
SMILESNc1cc(COc2cccc(F)c2)cc2c1OCCO2
InChIInChI=1S/C15H14FNO3/c16-11-2-1-3-12(8-11)20-9-10-6-13(17)15-14(7-10)18-4-5-19-15/h1-3,6-8H,4-5,9,17H2
InChIKeyFQPZBZMJLVGZQB-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.76
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

3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
CID 166073795
4-[(3-fluorophenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220300
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 38612951
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
CID 82080187
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The IUPAC name of 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine (CID 166073967) is 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine.
What is the SMILES notation for 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The canonical SMILES for 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine is Nc1cc(COc2cccc(F)c2)cc2c1OCCO2.
What is the InChIKey of 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
The InChIKey is FQPZBZMJLVGZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-11-2-1-3-12(8-11)20-9-10-6-13(17)15-14(7-10)18-4-5-19-15/h1-3,6-8H,4-5,9,17H2.
What are the key properties of 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine?
7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine has a molecular weight of 275.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenoxy)methyl]-2,3-dihydro-1,4-benzodioxin-5-amine is sourced from PubChem (CID 166073967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).