N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

C16H21NO2S — CID 43488164

IUPACN-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO2S/c1-5-17-16(15-9-6-11(2)20-15)13-8-7-12(18-3)10-14(13)19-4/h6-10,16-17H,5H2,1-4H3
InChIKeyLRYSEMDKTHUTNU-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.77
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488164) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43488164
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H21NO2S/c1-5-17-16(15-9-6-11(2)20-15)13-8-7-12(18-3)10-14(13)19-4/h6-10,16-17H,5H2,1-4H3
InChIKeyLRYSEMDKTHUTNU-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(2-bromo-4,5-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43491679
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(4-bromo-2-methoxyphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 115368910
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
N-[(5-bromothiophen-2-yl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562077
N-[[2-(2-methoxyethoxy)phenyl]-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105035372
[(2-methoxy-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106793733
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 43488164) is N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is LRYSEMDKTHUTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-5-17-16(15-9-6-11(2)20-15)13-8-7-12(18-3)10-14(13)19-4/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).