2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine

C9H15NOS — CID 83828861

IUPAC2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCNCC(OC)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-7-4-5-12-9(7)8(11-3)6-10-2/h4-5,8,10H,6H2,1-3H3
InChIKeyKUZUHIGVKBULEJ-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.96
Rot. Bonds4

About 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine

2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 83828861) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID83828861
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCNCC(OC)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-7-4-5-12-9(7)8(11-3)6-10-2/h4-5,8,10H,6H2,1-3H3
InChIKeyKUZUHIGVKBULEJ-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
2-(1-methoxybut-2-ynyl)-3-methylthiophene
CID 101480682
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706
N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 54073821
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
2-(diethoxymethyl)-3-methylthiophene
CID 146004797

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine (CID 83828861) is 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine is CNCC(OC)c1sccc1C.
What is the InChIKey of 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is KUZUHIGVKBULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7-4-5-12-9(7)8(11-3)6-10-2/h4-5,8,10H,6H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine?
2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 185.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 83828861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).