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

C14H15NO3S — CID 103231846

IUPAC3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-18-12-5-3-2-4-10(12)8-15-9-11-6-7-19-13(11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyHTLCYMUAXLZCMW-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.74
Rot. Bonds6

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

3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 103231846) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID103231846
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1CNCc1ccsc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-18-12-5-3-2-4-10(12)8-15-9-11-6-7-19-13(11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyHTLCYMUAXLZCMW-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103266052
2-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 103231836
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
3-[[(6-methoxy-5-methyl-2-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 166263879
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103265350
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid (CID 103231846) is 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid is COc1ccccc1CNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is HTLCYMUAXLZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-18-12-5-3-2-4-10(12)8-15-9-11-6-7-19-13(11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17).
What are the key properties of 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid?
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103231846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).