1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C14H23NOS — CID 103556185

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1cc(C)sc1C
InChIInChI=1S/C14H23NOS/c1-10-8-12(11(2)17-10)13(15-3)9-14(16-4)6-5-7-14/h8,13,15H,5-7,9H2,1-4H3
InChIKeyMOEOSWPPFWHTME-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.58
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103556185) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103556185
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1cc(C)sc1C
InChIInChI=1S/C14H23NOS/c1-10-8-12(11(2)17-10)13(15-3)9-14(16-4)6-5-7-14/h8,13,15H,5-7,9H2,1-4H3
InChIKeyMOEOSWPPFWHTME-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 103556168
2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556474
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156217
[1-(3,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 103560341

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103556185) is 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is MOEOSWPPFWHTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-8-12(11(2)17-10)13(15-3)9-14(16-4)6-5-7-14/h8,13,15H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103556185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).