4-(4-ethylphenyl)-4-(methylamino)butanoic acid

C13H19NO2 — CID 112517844

IUPAC4-(4-ethylphenyl)-4-(methylamino)butanoic acid
SMILESCCc1ccc(C(CCC(=O)O)NC)cc1
InChIInChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)12(14-2)8-9-13(15)16/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyXTRZQIMQOQCIBU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.37
Rot. Bonds6

About 4-(4-ethylphenyl)-4-(methylamino)butanoic acid

4-(4-ethylphenyl)-4-(methylamino)butanoic acid (PubChem CID 112517844) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-(methylamino)butanoic acid
PubChem CID112517844
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(4-ethylphenyl)-4-(methylamino)butanoic acid
SMILESCCc1ccc(C(CCC(=O)O)NC)cc1
InChIInChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)12(14-2)8-9-13(15)16/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyXTRZQIMQOQCIBU-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethylphenyl)-4-(methylamino)butanoic 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

3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
5-(4-ethylphenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
CID 82347753
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
4-(4-ethylphenyl)-4-pyrrol-1-ylbutanoic acid
CID 112519048
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
3-[tert-butyl-[1-(4-ethylphenyl)propyl]amino]propanoic acid
CID 65058328
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-(methylamino)butanoic acid?
The IUPAC name of 4-(4-ethylphenyl)-4-(methylamino)butanoic acid (CID 112517844) is 4-(4-ethylphenyl)-4-(methylamino)butanoic acid.
What is the SMILES notation for 4-(4-ethylphenyl)-4-(methylamino)butanoic acid?
The canonical SMILES for 4-(4-ethylphenyl)-4-(methylamino)butanoic acid is CCc1ccc(C(CCC(=O)O)NC)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-(methylamino)butanoic acid?
The InChIKey is XTRZQIMQOQCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10-4-6-11(7-5-10)12(14-2)8-9-13(15)16/h4-7,12,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-(4-ethylphenyl)-4-(methylamino)butanoic acid?
4-(4-ethylphenyl)-4-(methylamino)butanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-(methylamino)butanoic acid is sourced from PubChem (CID 112517844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).