2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine

C17H27NO2 — CID 115863730

IUPAC2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CC2CCC2)NC)cc1OCC
InChIInChI=1S/C17H27NO2/c1-4-19-16-10-9-14(12-17(16)20-5-2)15(18-3)11-13-7-6-8-13/h9-10,12-13,15,18H,4-8,11H2,1-3H3
InChIKeyGGDCZAQAWWFWNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds8

About 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine

2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine (PubChem CID 115863730) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
PubChem CID115863730
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(C(CC2CCC2)NC)cc1OCC
InChIInChI=1S/C17H27NO2/c1-4-19-16-10-9-14(12-17(16)20-5-2)15(18-3)11-13-7-6-8-13/h9-10,12-13,15,18H,4-8,11H2,1-3H3
InChIKeyGGDCZAQAWWFWNF-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
CID 104658264
[2-cyclobutyl-1-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105192203
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
2-cyclobutyl-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115863611
1-(3-chloro-4-iodophenyl)-2-cyclobutyl-N-methylethanamine
CID 103215395
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine (CID 115863730) is 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine is CCOc1ccc(C(CC2CCC2)NC)cc1OCC.
What is the InChIKey of 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine?
The InChIKey is GGDCZAQAWWFWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-19-16-10-9-14(12-17(16)20-5-2)15(18-3)11-13-7-6-8-13/h9-10,12-13,15,18H,4-8,11H2,1-3H3.
What are the key properties of 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine?
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115863730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).