1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine

C15H19NO3S — CID 107558294

IUPAC1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C15H19NO3S/c1-16-9-14-4-5-15(20-14)10-19-13-7-11(17-2)6-12(8-13)18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyTYLRBOXENVWCSY-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.06
Rot. Bonds7

About 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107558294) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107558294
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C15H19NO3S/c1-16-9-14-4-5-15(20-14)10-19-13-7-11(17-2)6-12(8-13)18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyTYLRBOXENVWCSY-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-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558758
1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107558966
1-[5-[(4-chloro-3-fluorophenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559178
3-[(5-chlorothiophen-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566952
1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728605
N-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
5-[(3-cyano-5-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 103566249
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
[5-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764026

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine (CID 107558294) is 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cc(OC)cc(OC)c2)s1.
What is the InChIKey of 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is TYLRBOXENVWCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-16-9-14-4-5-15(20-14)10-19-13-7-11(17-2)6-12(8-13)18-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine 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-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107558294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).