2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine

C16H17F2NO — CID 62606426

IUPAC2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeyDJXBIFXQABDBRJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine

2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine (PubChem CID 62606426) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
PubChem CID62606426
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3
InChIKeyDJXBIFXQABDBRJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606235
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
2-(2,3-difluorophenyl)-1-(3,4-difluorophenyl)ethanamine
CID 55095679
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(2,3-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503218
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine (CID 62606426) is 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(N)Cc2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
The InChIKey is DJXBIFXQABDBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-20-13-7-3-5-11(9-13)15(19)10-12-6-4-8-14(17)16(12)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine?
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 62606426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).