1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine

C12H19NO2S — CID 104993607

IUPAC1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOc1ccsc1C(N)CCC1CCCO1
InChIInChI=1S/C12H19NO2S/c1-14-11-6-8-16-12(11)10(13)5-4-9-3-2-7-15-9/h6,8-10H,2-5,7,13H2,1H3
InChIKeyIMHKRNGURMXPPG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.72
Rot. Bonds5

About 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine

1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993607) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993607
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCOc1ccsc1C(N)CCC1CCCO1
InChIInChI=1S/C12H19NO2S/c1-14-11-6-8-16-12(11)10(13)5-4-9-3-2-7-15-9/h6,8-10H,2-5,7,13H2,1H3
InChIKeyIMHKRNGURMXPPG-UHFFFAOYSA-N
XLogP2.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
[1-(3-ethylthiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314235
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
1-[4-(2-methoxyethyl)phenyl]-3-(oxolan-2-yl)propan-1-amine
CID 65154898
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104993607) is 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine is COc1ccsc1C(N)CCC1CCCO1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is IMHKRNGURMXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-14-11-6-8-16-12(11)10(13)5-4-9-3-2-7-15-9/h6,8-10H,2-5,7,13H2,1H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).