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

C17H18FNO2 — CID 105377270

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cccc2c1OCCO2
InChIInChI=1S/C17H18FNO2/c1-11-5-6-13(18)9-12(11)10-15(19)14-3-2-4-16-17(14)21-8-7-20-16/h2-6,9,15H,7-8,10,19H2,1H3
InChIKeyCYESPEIEASRFSQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.15
Rot. Bonds3

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

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105377270) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105377270
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1cccc2c1OCCO2
InChIInChI=1S/C17H18FNO2/c1-11-5-6-13(18)9-12(11)10-15(19)14-3-2-4-16-17(14)21-8-7-20-16/h2-6,9,15H,7-8,10,19H2,1H3
InChIKeyCYESPEIEASRFSQ-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 105133211
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 102866888
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
5-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63544403
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbut-3-en-1-amine
CID 131323428
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105175829
5-[1-bromo-2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 63018356
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105377270) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is CYESPEIEASRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11-5-6-13(18)9-12(11)10-15(19)14-3-2-4-16-17(14)21-8-7-20-16/h2-6,9,15H,7-8,10,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 287.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105377270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).