2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid

C15H23NO3 — CID 43517019

IUPAC2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
SMILESCCN(CC)c1cccc(OC(C(=O)O)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-16(6-2)12-8-7-9-13(10-12)19-14(11(3)4)15(17)18/h7-11,14H,5-6H2,1-4H3,(H,17,18)
InChIKeyYNLBFQQVZFJUAV-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.02
Rot. Bonds7

About 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid

2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid (PubChem CID 43517019) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
PubChem CID43517019
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid
SMILESCCN(CC)c1cccc(OC(C(=O)O)C(C)C)c1
InChIInChI=1S/C15H23NO3/c1-5-16(6-2)12-8-7-9-13(10-12)19-14(11(3)4)15(17)18/h7-11,14H,5-6H2,1-4H3,(H,17,18)
InChIKeyYNLBFQQVZFJUAV-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid?
The IUPAC name of 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid (CID 43517019) is 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid.
What is the SMILES notation for 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid?
The canonical SMILES for 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid is CCN(CC)c1cccc(OC(C(=O)O)C(C)C)c1.
What is the InChIKey of 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid?
The InChIKey is YNLBFQQVZFJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16(6-2)12-8-7-9-13(10-12)19-14(11(3)4)15(17)18/h7-11,14H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid?
2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)phenoxy]-3-methylbutanoic acid is sourced from PubChem (CID 43517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).