N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline

C17H20FNO — CID 43111678

IUPACN-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCCOc1ccccc1C(C)Nc1cc(F)ccc1C
InChIInChI=1S/C17H20FNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-11-14(18)10-9-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeyVNCPFCDZXSENCC-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds5

About N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline

N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43111678) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43111678
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline
SMILESCCOc1ccccc1C(C)Nc1cc(F)ccc1C
InChIInChI=1S/C17H20FNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-11-14(18)10-9-12(16)2/h5-11,13,19H,4H2,1-3H3
InChIKeyVNCPFCDZXSENCC-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43102776
N-[1-(2-ethoxyphenyl)ethyl]-3,5-dimethylaniline
CID 43104673
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302
5-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylaniline
CID 43729543
N-[1-(2-ethoxyphenyl)ethyl]-2-ethylsulfanylaniline
CID 60935431
2,4,6-trichloro-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43126451

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline (CID 43111678) is N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline is CCOc1ccccc1C(C)Nc1cc(F)ccc1C.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is VNCPFCDZXSENCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-20-17-8-6-5-7-15(17)13(3)19-16-11-14(18)10-9-12(16)2/h5-11,13,19H,4H2,1-3H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline has a molecular weight of 273.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43111678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).