5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid

C16H19NO3 — CID 103253263

IUPAC5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
SMILESCCc1ccccc1CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C16H19NO3/c1-3-12-6-4-5-7-13(12)10-17-11(2)14-8-9-15(20-14)16(18)19/h4-9,11,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyMHOLCBKUPYGCKX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.39
Rot. Bonds6

About 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid

5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid (PubChem CID 103253263) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
PubChem CID103253263
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid
SMILESCCc1ccccc1CNC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C16H19NO3/c1-3-12-6-4-5-7-13(12)10-17-11(2)14-8-9-15(20-14)16(18)19/h4-9,11,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyMHOLCBKUPYGCKX-UHFFFAOYSA-N
XLogP3.39
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103230075
5-[1-(2-ethylbutylamino)ethyl]furan-2-carboxylic acid
CID 103267053
5-[1-(pentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103231116
5-[1-[(3,4-difluorophenyl)methylamino]ethyl]furan-2-carboxylic acid
CID 103244448
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
5-methyl-4-[(1-phenylethylamino)methyl]furan-2-carboxylic acid
CID 103230800
5-[1-[2-(methoxymethyl)anilino]ethyl]furan-2-carboxylic acid
CID 103247181
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
5-[1-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]ethyl]furan-2-carboxylic acid
CID 103262559
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582
5-[1-(2-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 103244167
5-[1-(3-methylpentan-3-ylamino)ethyl]furan-2-carboxylic acid
CID 106330201

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid (CID 103253263) is 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid is CCc1ccccc1CNC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid?
The InChIKey is MHOLCBKUPYGCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-12-6-4-5-7-13(12)10-17-11(2)14-8-9-15(20-14)16(18)19/h4-9,11,17H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid?
5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-ethylphenyl)methylamino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 103253263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).