3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid

C15H17NO3S — CID 103240321

IUPAC3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOCc1ccccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C15H17NO3S/c1-19-10-13-5-3-2-4-11(13)8-16-9-12-6-7-20-14(12)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyUOZFTOYFDKFQSH-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.88
Rot. Bonds7

About 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid

3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103240321) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103240321
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOCc1ccccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C15H17NO3S/c1-19-10-13-5-3-2-4-11(13)8-16-9-12-6-7-20-14(12)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18)
InChIKeyUOZFTOYFDKFQSH-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
N-[2-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophen-3-yl]acetamide
CID 66387774
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052
3-[(pyridazin-3-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 106896733
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
3-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103254041
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid (CID 103240321) is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid is COCc1ccccc1CNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is UOZFTOYFDKFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-10-13-5-3-2-4-11(13)8-16-9-12-6-7-20-14(12)15(17)18/h2-7,16H,8-10H2,1H3,(H,17,18).
What are the key properties of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid?
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103240321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).