1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine

C18H22FNO — CID 61066488

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1ccccc1OCC
InChIInChI=1S/C18H22FNO/c1-3-20-17(13-14-9-5-7-11-16(14)19)15-10-6-8-12-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyORFGTSDHORITDP-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.12
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine

1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine (PubChem CID 61066488) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
PubChem CID61066488
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1ccccc1OCC
InChIInChI=1S/C18H22FNO/c1-3-20-17(13-14-9-5-7-11-16(14)19)15-10-6-8-12-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyORFGTSDHORITDP-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 62196391
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
[2-(2-bromo-3-fluorophenyl)-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105260715
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61065242
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine (CID 61066488) is 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine is CCNC(Cc1ccccc1F)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is ORFGTSDHORITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-20-17(13-14-9-5-7-11-16(14)19)15-10-6-8-12-18(15)21-4-2/h5-12,17,20H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 61066488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).