4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline

C17H20FNO — CID 60936269

IUPAC4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
SMILESCCOc1ccc(NC(C)c2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3
InChIKeyQZXZUHJMFFPJHR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds5

About 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline

4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline (PubChem CID 60936269) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
PubChem CID60936269
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
SMILESCCOc1ccc(NC(C)c2ccccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-4-20-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3
InChIKeyQZXZUHJMFFPJHR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451092
N-[1-(2,5-dichlorophenyl)ethyl]-4-ethoxy-2-methylaniline
CID 63451223
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
N-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
CID 114829365
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
4-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-methylaniline
CID 43100277
4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
CID 79008767
4-ethoxy-2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 54865366
N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43194923

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline (CID 60936269) is 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline is CCOc1ccc(NC(C)c2ccccc2F)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
The InChIKey is QZXZUHJMFFPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-20-14-9-10-17(12(2)11-14)19-13(3)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline?
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-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 4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 60936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).