2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine

C16H15ClFNO2 — CID 105133211

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C16H15ClFNO2/c17-13-9-11(18)5-4-10(13)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14H,6-8,19H2
InChIKeyVLFDGODWPHACGR-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine (PubChem CID 105133211) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
PubChem CID105133211
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Cl)c1cccc2c1OCCO2
InChIInChI=1S/C16H15ClFNO2/c17-13-9-11(18)5-4-10(13)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14H,6-8,19H2
InChIKeyVLFDGODWPHACGR-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
CID 102866888
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377270
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583856
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105126709
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538966

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine (CID 105133211) is 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine is NC(Cc1ccc(F)cc1Cl)c1cccc2c1OCCO2.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine?
The InChIKey is VLFDGODWPHACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-13-9-11(18)5-4-10(13)8-14(19)12-2-1-3-15-16(12)21-7-6-20-15/h1-5,9,14H,6-8,19H2.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine has a molecular weight of 307.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine is sourced from PubChem (CID 105133211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).