1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

C13H21NOS — CID 65156217

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-7-12(10(2)16-9)13(14-3)8-11-5-4-6-15-11/h7,11,13-14H,4-6,8H2,1-3H3
InChIKeyRXIXXZFIHLZJKY-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.19
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156217) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156217
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1cc(C)sc1C
InChIInChI=1S/C13H21NOS/c1-9-7-12(10(2)16-9)13(14-3)8-11-5-4-6-15-11/h7,11,13-14H,4-6,8H2,1-3H3
InChIKeyRXIXXZFIHLZJKY-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156219
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81045054
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylethanamine
CID 43485358
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47216645
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 65156217) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is RXIXXZFIHLZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-7-12(10(2)16-9)13(14-3)8-11-5-4-6-15-11/h7,11,13-14H,4-6,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.19, 4 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)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).