2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine

C16H24FNO2 — CID 103163113

IUPAC2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H24FNO2/c1-4-18-14(8-11-6-5-7-11)12-9-15(19-2)16(20-3)10-13(12)17/h9-11,14,18H,4-8H2,1-3H3
InChIKeyYKQFELKEGKRTPH-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.68
Rot. Bonds7

About 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine

2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine (PubChem CID 103163113) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
PubChem CID103163113
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
SMILESCCNC(CC1CCC1)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C16H24FNO2/c1-4-18-14(8-11-6-5-7-11)12-9-15(19-2)16(20-3)10-13(12)17/h9-11,14,18H,4-8H2,1-3H3
InChIKeyYKQFELKEGKRTPH-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162910
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 62865865
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
[2-bromo-2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cycloheptane
CID 114458761
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine (CID 103163113) is 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine is CCNC(CC1CCC1)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine?
The InChIKey is YKQFELKEGKRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-4-18-14(8-11-6-5-7-11)12-9-15(19-2)16(20-3)10-13(12)17/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine?
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 103163113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).