2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine

C14H23NOS — CID 103169830

IUPAC2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCOC1CC(CC(NC)c2ccsc2C)C1
InChIInChI=1S/C14H23NOS/c1-4-16-12-7-11(8-12)9-14(15-3)13-5-6-17-10(13)2/h5-6,11-12,14-15H,4,7-9H2,1-3H3
InChIKeyOOPHDLRWKWBVOD-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine

2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 103169830) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID103169830
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCCOC1CC(CC(NC)c2ccsc2C)C1
InChIInChI=1S/C14H23NOS/c1-4-16-12-7-11(8-12)9-14(15-3)13-5-6-17-10(13)2/h5-6,11-12,14-15H,4,7-9H2,1-3H3
InChIKeyOOPHDLRWKWBVOD-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 103170881
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(4-butan-2-ylphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162804
1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162788
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
CID 103165435
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine (CID 103169830) is 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine is CCOC1CC(CC(NC)c2ccsc2C)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is OOPHDLRWKWBVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-16-12-7-11(8-12)9-14(15-3)13-5-6-17-10(13)2/h5-6,11-12,14-15H,4,7-9H2,1-3H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine?
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 103169830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).