5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid

C15H16BrNO3 — CID 103257756

IUPAC5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN[C@@H](C)c2ccccc2Br)oc1C(=O)O
InChIInChI=1S/C15H16BrNO3/c1-9-7-11(20-14(9)15(18)19)8-17-10(2)12-5-3-4-6-13(12)16/h3-7,10,17H,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQXQIEHWWUMKZBJ-JTQLQIEISA-N
MW338.20 g/mol
LogP3.90
Rot. Bonds5

About 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid

5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 103257756) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
PubChem CID103257756
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CN[C@@H](C)c2ccccc2Br)oc1C(=O)O
InChIInChI=1S/C15H16BrNO3/c1-9-7-11(20-14(9)15(18)19)8-17-10(2)12-5-3-4-6-13(12)16/h3-7,10,17H,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyQXQIEHWWUMKZBJ-JTQLQIEISA-N
XLogP3.90
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103260191
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103257716
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
5-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103233967
[5-[[1-(2-bromophenyl)ethylamino]methyl]furan-2-yl]methanol
CID 64579765
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257628
3-methyl-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103263537
5-[(hydroxyamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103282683
5-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103259950
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
5-(ethylaminomethyl)-3-methylfuran-2-carboxylic acid
CID 103230364

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid (CID 103257756) is 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CN[C@@H](C)c2ccccc2Br)oc1C(=O)O.
What is the InChIKey of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is QXQIEHWWUMKZBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-9-7-11(20-14(9)15(18)19)8-17-10(2)12-5-3-4-6-13(12)16/h3-7,10,17H,8H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid?
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 338.20 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103257756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).