1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

C16H21NO3S — CID 62841838

IUPAC1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CNC(C)c2ccsc2)c(OC)c1
InChIInChI=1S/C16H21NO3S/c1-11(12-5-6-21-10-12)17-9-14-15(19-3)7-13(18-2)8-16(14)20-4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyATNHHWKHKPOWMB-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.62
Rot. Bonds7

About 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (PubChem CID 62841838) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
PubChem CID62841838
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CNC(C)c2ccsc2)c(OC)c1
InChIInChI=1S/C16H21NO3S/c1-11(12-5-6-21-10-12)17-9-14-15(19-3)7-13(18-2)8-16(14)20-4/h5-8,10-11,17H,9H2,1-4H3
InChIKeyATNHHWKHKPOWMB-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

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylethanamine
CID 62840115
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841336
(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (CID 62841838) is 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(CNC(C)c2ccsc2)c(OC)c1.
What is the InChIKey of 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is ATNHHWKHKPOWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11(12-5-6-21-10-12)17-9-14-15(19-3)7-13(18-2)8-16(14)20-4/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]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 1-thiophen-3-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62841838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).