1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C15H19NO2S — CID 43221014

IUPAC1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cccs2)c1OC
InChIInChI=1S/C15H19NO2S/c1-3-18-14-8-4-6-12(15(14)17-2)10-16-11-13-7-5-9-19-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyCYAFQSBAYGKMSU-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.45
Rot. Bonds7

About 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 43221014) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID43221014
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCOc1cccc(CNCc2cccs2)c1OC
InChIInChI=1S/C15H19NO2S/c1-3-18-14-8-4-6-12(15(14)17-2)10-16-11-13-7-5-9-19-13/h4-9,16H,3,10-11H2,1-2H3
InChIKeyCYAFQSBAYGKMSU-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxyethoxy)-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849867
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 3162096
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196174
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 62522809
1-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716137
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
N-[[3-methoxy-2-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
CID 63775094
1-(3-ethoxy-2-methoxyphenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275113
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 43221014) is 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is CCOc1cccc(CNCc2cccs2)c1OC.
What is the InChIKey of 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is CYAFQSBAYGKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-18-14-8-4-6-12(15(14)17-2)10-16-11-13-7-5-9-19-13/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 277.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 43221014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).