2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid

C16H25NO3 — CID 63066904

IUPAC2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
SMILESCCCC(C)N(C)CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-13(2)17(3)10-11-20-15-8-6-14(7-9-15)12-16(18)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeySDFBXZUUCJSYBE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.81
Rot. Bonds9

About 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid

2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid (PubChem CID 63066904) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
PubChem CID63066904
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
SMILESCCCC(C)N(C)CCOc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-13(2)17(3)10-11-20-15-8-6-14(7-9-15)12-16(18)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeySDFBXZUUCJSYBE-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic 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

2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 43572109
2-[4-[2-[butan-2-yl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290703
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
2-[4-(2-methylheptoxy)phenyl]acetic acid
CID 54140493
2-[4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]ethanethioamide
CID 115985922
2-(4-butoxyphenyl)acetic acid;3-hydroxyhexadecanoic acid
CID 70199152
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
2-[4-(1-bromobutoxy)phenyl]acetic acid
CID 54461167
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-[4-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 43309389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid (CID 63066904) is 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid is CCCC(C)N(C)CCOc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid?
The InChIKey is SDFBXZUUCJSYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-13(2)17(3)10-11-20-15-8-6-14(7-9-15)12-16(18)19/h6-9,13H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid?
2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 63066904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).