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

C15H19NO3S — CID 43090897

IUPAC1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO3S/c1-17-11-7-14(18-2)13(15(8-11)19-3)10-16-9-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3
InChIKeyDXTDSQKPLDAJLS-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.06
Rot. Bonds7

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

1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (PubChem CID 43090897) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
PubChem CID43090897
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(CNCc2cccs2)c(OC)c1
InChIInChI=1S/C15H19NO3S/c1-17-11-7-14(18-2)13(15(8-11)19-3)10-16-9-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3
InChIKeyDXTDSQKPLDAJLS-UHFFFAOYSA-N
XLogP3.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
[(2,4,6-trimethoxyphenyl)methylamino]methanethiol
CID 115227955
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
2-N-ethyl-4-methoxy-2-N-methyl-3-[(thiophen-2-ylmethylamino)methyl]benzene-1,2-diamine
CID 146643821
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
N-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 115195875
N-[(2,6-dimethoxyquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162647683
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine (CID 43090897) is 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(CNCc2cccs2)c(OC)c1.
What is the InChIKey of 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
The InChIKey is DXTDSQKPLDAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-17-11-7-14(18-2)13(15(8-11)19-3)10-16-9-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine?
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).