2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine

C16H17F2NO — CID 63036402

IUPAC2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)COc2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-2-11-6-8-12(9-7-11)14(19)10-20-15-5-3-4-13(17)16(15)18/h3-9,14H,2,10,19H2,1H3
InChIKeyPANCFSPFTUZLPS-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine

2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine (PubChem CID 63036402) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
PubChem CID63036402
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)COc2cccc(F)c2F)cc1
InChIInChI=1S/C16H17F2NO/c1-2-11-6-8-12(9-7-11)14(19)10-20-15-5-3-4-13(17)16(15)18/h3-9,14H,2,10,19H2,1H3
InChIKeyPANCFSPFTUZLPS-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-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
CID 63037145
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine (CID 63036402) is 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)COc2cccc(F)c2F)cc1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine?
The InChIKey is PANCFSPFTUZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-2-11-6-8-12(9-7-11)14(19)10-20-15-5-3-4-13(17)16(15)18/h3-9,14H,2,10,19H2,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine?
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)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-difluorophenoxy)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63036402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).