1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine

C16H17F2NO2 — CID 16780831

IUPAC1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine
SMILESCCOc1ccccc1OCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-2-20-15-5-3-4-6-16(15)21-10-14(19)11-7-8-12(17)13(18)9-11/h3-9,14H,2,10,19H2,1H3
InChIKeyDMQWJLQOVWTMIB-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.44
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine

1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine (PubChem CID 16780831) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine
PubChem CID16780831
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine
SMILESCCOc1ccccc1OCC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-2-20-15-5-3-4-6-16(15)21-10-14(19)11-7-8-12(17)13(18)9-11/h3-9,14H,2,10,19H2,1H3
InChIKeyDMQWJLQOVWTMIB-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-1-(4-fluorophenyl)ethanamine
CID 16784701
2-amino-2-(4-ethoxy-3-fluorophenyl)ethanol
CID 82282191
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine (CID 16780831) is 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine is CCOc1ccccc1OCC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine?
The InChIKey is DMQWJLQOVWTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-20-15-5-3-4-6-16(15)21-10-14(19)11-7-8-12(17)13(18)9-11/h3-9,14H,2,10,19H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine?
1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-ethoxyphenoxy)ethanamine is sourced from PubChem (CID 16780831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).