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

C12H19NOS — CID 102831896

IUPACN-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccsc1C
InChIInChI=1S/C12H19NOS/c1-9-11(5-7-15-9)12(13-2)8-10-4-3-6-14-10/h5,7,10,12-13H,3-4,6,8H2,1-2H3
InChIKeyNKKONGUNSHLWMA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.89
Rot. Bonds4

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

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 102831896) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID102831896
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccsc1C
InChIInChI=1S/C12H19NOS/c1-9-11(5-7-15-9)12(13-2)8-10-4-3-6-14-10/h5,7,10,12-13H,3-4,6,8H2,1-2H3
InChIKeyNKKONGUNSHLWMA-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
1-(2,5-dimethylthiophen-3-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156217
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81045054
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine (CID 102831896) is N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ccsc1C.
What is the InChIKey of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is NKKONGUNSHLWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-11(5-7-15-9)12(13-2)8-10-4-3-6-14-10/h5,7,10,12-13H,3-4,6,8H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine?
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 102831896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).