5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid

C14H14FNO2S — CID 63377918

IUPAC5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H14FNO2S/c1-16(8-10-3-2-4-11(15)7-10)9-12-5-6-13(19-12)14(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyYSMOSLRQAQZDBI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.22
Rot. Bonds5

About 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid

5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 63377918) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID63377918
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
SMILESCN(Cc1cccc(F)c1)Cc1ccc(C(=O)O)s1
InChIInChI=1S/C14H14FNO2S/c1-16(8-10-3-2-4-11(15)7-10)9-12-5-6-13(19-12)14(17)18/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyYSMOSLRQAQZDBI-UHFFFAOYSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
3-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63639033
1-[5-[[benzyl(methyl)amino]methyl]thiophen-2-yl]-2,2,2-trifluoroethanone
CID 25023811
5-fluoro-2-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 63289360
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
2-amino-6-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824281
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
5-[(N-ethyl-4-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 63378156
2-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]benzoic acid
CID 104548693
4-[(3-fluorophenyl)methyl-methylamino]-3-methylbenzoic acid
CID 62121477
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid (CID 63377918) is 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid is CN(Cc1cccc(F)c1)Cc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is YSMOSLRQAQZDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-16(8-10-3-2-4-11(15)7-10)9-12-5-6-13(19-12)14(17)18/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid?
5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63377918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).