1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine

C13H21NOS — CID 103556111

IUPAC1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCc1ccc(C(N)CC2(OC)CCC2)s1
InChIInChI=1S/C13H21NOS/c1-3-10-5-6-12(16-10)11(14)9-13(15-2)7-4-8-13/h5-6,11H,3-4,7-9,14H2,1-2H3
InChIKeyCWPJPXXVJWEFCP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine

1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556111) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556111
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCc1ccc(C(N)CC2(OC)CCC2)s1
InChIInChI=1S/C13H21NOS/c1-3-10-5-6-12(16-10)11(14)9-13(15-2)7-4-8-13/h5-6,11H,3-4,7-9,14H2,1-2H3
InChIKeyCWPJPXXVJWEFCP-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556435
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556111) is 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine is CCc1ccc(C(N)CC2(OC)CCC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is CWPJPXXVJWEFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-10-5-6-12(16-10)11(14)9-13(15-2)7-4-8-13/h5-6,11H,3-4,7-9,14H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).