2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

C10H17NO2S — CID 79492752

IUPAC2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(c1csc(C)c1)C(OC)OC
InChIInChI=1S/C10H17NO2S/c1-7-5-8(6-14-7)9(11-2)10(12-3)13-4/h5-6,9-11H,1-4H3
InChIKeyODUHDBYQIPKVBY-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.94
Rot. Bonds5

About 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine

2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 79492752) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID79492752
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCNC(c1csc(C)c1)C(OC)OC
InChIInChI=1S/C10H17NO2S/c1-7-5-8(6-14-7)9(11-2)10(12-3)13-4/h5-6,9-11H,1-4H3
InChIKeyODUHDBYQIPKVBY-UHFFFAOYSA-N
XLogP1.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 79492540
2,2-dimethoxy-N-methyl-1-(3-methylphenyl)ethanamine
CID 79493345
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116724693
N-methyl-1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105155405
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
1-(3-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65105134
[3,3,3-trifluoro-1-(5-methylthiophen-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312828
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
N-methyl-1-(5-methylthiophen-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991248
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine (CID 79492752) is 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is CNC(c1csc(C)c1)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is ODUHDBYQIPKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-7-5-8(6-14-7)9(11-2)10(12-3)13-4/h5-6,9-11H,1-4H3.
What are the key properties of 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine?
2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine has a molecular weight of 215.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79492752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).