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

C13H21NOS — CID 102833757

IUPACN-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1ccsc1C
InChIInChI=1S/C13H21NOS/c1-10-12(6-8-16-10)13(14-2)9-11-5-3-4-7-15-11/h6,8,11,13-14H,3-5,7,9H2,1-2H3
InChIKeyQNLWXZXOUGXFEH-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.28
Rot. Bonds4

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

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 102833757) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
PubChem CID102833757
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1ccsc1C
InChIInChI=1S/C13H21NOS/c1-10-12(6-8-16-10)13(14-2)9-11-5-3-4-7-15-11/h6,8,11,13-14H,3-5,7,9H2,1-2H3
InChIKeyQNLWXZXOUGXFEH-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
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-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
N-methyl-1-(2-methylthiophen-3-yl)-2-(thian-4-yl)ethanamine
CID 102840644
1-(2,5-dibromo-4-methylphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 81473748
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine (CID 102833757) is N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine is CNC(CC1CCCCO1)c1ccsc1C.
What is the InChIKey of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is QNLWXZXOUGXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-12(6-8-16-10)13(14-2)9-11-5-3-4-7-15-11/h6,8,11,13-14H,3-5,7,9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.28, 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-(oxan-2-yl)ethanamine is sourced from PubChem (CID 102833757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).