N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine

C16H21NO3S — CID 63002073

IUPACN-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C16H21NO3S/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyIXFVGROUSMXQNE-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.62
Rot. Bonds7

About N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine

N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 63002073) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID63002073
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(C(C)NCc2ccsc2)cc(OC)c1OC
InChIInChI=1S/C16H21NO3S/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3
InChIKeyIXFVGROUSMXQNE-UHFFFAOYSA-N
XLogP3.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylethanamine
CID 62840115
1-(2-methoxy-5-methylphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43225409
N-(furan-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 115607208
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiophen-3-amine
CID 66351198
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61221739

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 63002073) is N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine is COc1cc(C(C)NCc2ccsc2)cc(OC)c1OC.
What is the InChIKey of N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is IXFVGROUSMXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11(17-9-12-5-6-21-10-12)13-7-14(18-2)16(20-4)15(8-13)19-3/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 63002073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).