2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline

C17H20FNO2 — CID 43514914

IUPAC2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
SMILESCOCc1cc(C(C)Nc2ccccc2F)ccc1OC
InChIInChI=1S/C17H20FNO2/c1-12(19-16-7-5-4-6-15(16)18)13-8-9-17(21-3)14(10-13)11-20-2/h4-10,12,19H,11H2,1-3H3
InChIKeySIMLSEIYZPMARW-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.15
Rot. Bonds6

About 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline

2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline (PubChem CID 43514914) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
PubChem CID43514914
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
SMILESCOCc1cc(C(C)Nc2ccccc2F)ccc1OC
InChIInChI=1S/C17H20FNO2/c1-12(19-16-7-5-4-6-15(16)18)13-8-9-17(21-3)14(10-13)11-20-2/h4-10,12,19H,11H2,1-3H3
InChIKeySIMLSEIYZPMARW-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514886
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]pyrrol-1-amine
CID 79091158
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylbut-3-yn-2-amine
CID 63998709
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932317
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The IUPAC name of 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline (CID 43514914) is 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline is COCc1cc(C(C)Nc2ccccc2F)ccc1OC.
What is the InChIKey of 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
The InChIKey is SIMLSEIYZPMARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(19-16-7-5-4-6-15(16)18)13-8-9-17(21-3)14(10-13)11-20-2/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline?
2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline has a molecular weight of 289.35 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline is sourced from PubChem (CID 43514914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).