2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid

C16H25NO2 — CID 65062015

IUPAC2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)c1ccc(C)c(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-7-17(16(5,6)15(18)19)13(4)14-9-8-11(2)12(3)10-14/h8-10,13H,7H2,1-6H3,(H,18,19)
InChIKeyRZTUZAOTRIUISD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.55
Rot. Bonds5

About 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid

2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid (PubChem CID 65062015) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid
PubChem CID65062015
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(C)c1ccc(C)c(C)c1)C(C)(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-7-17(16(5,6)15(18)19)13(4)14-9-8-11(2)12(3)10-14/h8-10,13H,7H2,1-6H3,(H,18,19)
InChIKeyRZTUZAOTRIUISD-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid (CID 65062015) is 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid is CCN(C(C)c1ccc(C)c(C)c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is RZTUZAOTRIUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-17(16(5,6)15(18)19)13(4)14-9-8-11(2)12(3)10-14/h8-10,13H,7H2,1-6H3,(H,18,19).
What are the key properties of 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid?
2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)ethyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65062015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).