3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

C17H20FNO — CID 43765130

IUPAC3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCCc1cccc(NC(C)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H20FNO/c1-4-13-6-5-7-14(10-13)19-12(2)16-9-8-15(20-3)11-17(16)18/h5-12,19H,4H2,1-3H3
InChIKeyZTOOFLYWIQRNFN-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.57
Rot. Bonds5

About 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline

3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 43765130) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID43765130
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCCc1cccc(NC(C)c2ccc(OC)cc2F)c1
InChIInChI=1S/C17H20FNO/c1-4-13-6-5-7-14(10-13)19-12(2)16-9-8-15(20-3)11-17(16)18/h5-12,19H,4H2,1-3H3
InChIKeyZTOOFLYWIQRNFN-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-ethynyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43755503
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602
[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
CID 97088118
[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715147
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106054
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (CID 43765130) is 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is CCc1cccc(NC(C)c2ccc(OC)cc2F)c1.
What is the InChIKey of 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is ZTOOFLYWIQRNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-13-6-5-7-14(10-13)19-12(2)16-9-8-15(20-3)11-17(16)18/h5-12,19H,4H2,1-3H3.
What are the key properties of 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43765130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).