1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C17H27NO3 — CID 103162788

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C17H27NO3/c1-5-21-14-8-12(9-14)10-16(18-2)15-11-13(19-3)6-7-17(15)20-4/h6-7,11-12,14,16,18H,5,8-10H2,1-4H3
InChIKeyMREVMRHFAZUYAT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103162788) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103162788
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(OC)ccc2OC)C1
InChIInChI=1S/C17H27NO3/c1-5-21-14-8-12(9-14)10-16(18-2)15-11-13(19-3)6-7-17(15)20-4/h6-7,11-12,14,16,18H,5,8-10H2,1-4H3
InChIKeyMREVMRHFAZUYAT-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103162788) is 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)c2cc(OC)ccc2OC)C1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is MREVMRHFAZUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-21-14-8-12(9-14)10-16(18-2)15-11-13(19-3)6-7-17(15)20-4/h6-7,11-12,14,16,18H,5,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103162788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).