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

C17H20FNO — CID 43764537

IUPAC2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCCc1ccccc1NC(C)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNO/c1-4-13-7-5-6-8-17(13)19-12(2)15-10-9-14(20-3)11-16(15)18/h5-12,19H,4H2,1-3H3
InChIKeyUABVXJHALCPDRF-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.57
Rot. Bonds5

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

2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (PubChem CID 43764537) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
PubChem CID43764537
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
SMILESCCc1ccccc1NC(C)c1ccc(OC)cc1F
InChIInChI=1S/C17H20FNO/c1-4-13-7-5-6-8-17(13)19-12(2)15-10-9-14(20-3)11-16(15)18/h5-12,19H,4H2,1-3H3
InChIKeyUABVXJHALCPDRF-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

2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-nitroaniline
CID 43785484
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
CID 43094216
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
4-bromo-2,3-dichloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107787865
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline (CID 43764537) is 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is CCc1ccccc1NC(C)c1ccc(OC)cc1F.
What is the InChIKey of 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
The InChIKey is UABVXJHALCPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-13-7-5-6-8-17(13)19-12(2)15-10-9-14(20-3)11-16(15)18/h5-12,19H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline?
2-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 2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43764537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).