3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid

C15H17NO2S — CID 65488572

IUPAC3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)Cc1ccsc1C(=O)O
InChIInChI=1S/C15H17NO2S/c1-16(9-7-12-5-3-2-4-6-12)11-13-8-10-19-14(13)15(17)18/h2-6,8,10H,7,9,11H2,1H3,(H,17,18)
InChIKeyUMORGNHXZUFXMS-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.12
Rot. Bonds6

About 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid

3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 65488572) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID65488572
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)Cc1ccsc1C(=O)O
InChIInChI=1S/C15H17NO2S/c1-16(9-7-12-5-3-2-4-6-12)11-13-8-10-19-14(13)15(17)18/h2-6,8,10H,7,9,11H2,1H3,(H,17,18)
InChIKeyUMORGNHXZUFXMS-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
3-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63639033
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
3-[[(4-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 55244181
3-[[methyl(2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 63640914
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
CID 65488036
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
3-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 55245326
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
3-[(N-butylanilino)methyl]thiophene-2-carboxylic acid
CID 64585013

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid (CID 65488572) is 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid is CN(CCc1ccccc1)Cc1ccsc1C(=O)O.
What is the InChIKey of 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is UMORGNHXZUFXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16(9-7-12-5-3-2-4-6-12)11-13-8-10-19-14(13)15(17)18/h2-6,8,10H,7,9,11H2,1H3,(H,17,18).
What are the key properties of 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 65488572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).