2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline

C17H20FNO — CID 43750446

IUPAC2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCCOCc1ccccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-20-12-15-7-4-5-10-17(15)19-13(2)14-8-6-9-16(18)11-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyWWQLONQPQKOESB-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.54
Rot. Bonds6

About 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline

2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43750446) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43750446
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCCOCc1ccccc1NC(C)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-20-12-15-7-4-5-10-17(15)19-13(2)14-8-6-9-16(18)11-14/h4-11,13,19H,3,12H2,1-2H3
InChIKeyWWQLONQPQKOESB-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-(ethoxymethyl)aniline
CID 43792105
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 43750383
N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
CID 43750406
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
CID 43750243
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
CID 114256809
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43750446) is 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline is CCOCc1ccccc1NC(C)c1cccc(F)c1.
What is the InChIKey of 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is WWQLONQPQKOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-20-12-15-7-4-5-10-17(15)19-13(2)14-8-6-9-16(18)11-14/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline?
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43750446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).