1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine

C16H24BrNO2 — CID 103162910

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H24BrNO2/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
InChIKeyGLPDQYSZYNCAAL-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.31
Rot. Bonds7

About 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 103162910) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
PubChem CID103162910
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H24BrNO2/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
InChIKeyGLPDQYSZYNCAAL-UHFFFAOYSA-N
XLogP4.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
1-bromo-2-(1-chloro-2-cyclopentylethyl)-4,5-dimethoxybenzene
CID 63432125
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
5-bromo-6-[2-cyclopentyl-1-(ethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62374056

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine (CID 103162910) is 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is GLPDQYSZYNCAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/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 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 342.28 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 103162910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).