2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine

C16H16FNO2 — CID 105142758

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cccc2c1OCCO2
InChIInChI=1S/C16H16FNO2/c1-10-9-11(17)5-6-12(10)15(18)13-3-2-4-14-16(13)20-8-7-19-14/h2-6,9,15H,7-8,18H2,1H3
InChIKeyDIPLETLVNJGWSM-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.95
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine

2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 105142758) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID105142758
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cccc2c1OCCO2
InChIInChI=1S/C16H16FNO2/c1-10-9-11(17)5-6-12(10)15(18)13-3-2-4-14-16(13)20-8-7-19-14/h2-6,9,15H,7-8,18H2,1H3
InChIKeyDIPLETLVNJGWSM-UHFFFAOYSA-N
XLogP2.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377270
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105175829
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105133211
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142755
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine (CID 105142758) is 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is DIPLETLVNJGWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-9-11(17)5-6-12(10)15(18)13-3-2-4-14-16(13)20-8-7-19-14/h2-6,9,15H,7-8,18H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 105142758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).