4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid

C15H24N2O3 — CID 64708993

IUPAC4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)Oc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(10-15(2,16-3)14(18)19)20-13-8-6-7-12(9-13)17(4)5/h6-9,11,16H,10H2,1-5H3,(H,18,19)
InChIKeyDXENGWYIONLNIK-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.97
Rot. Bonds7

About 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid

4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64708993) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64708993
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C)(CC(C)Oc1cccc(N(C)C)c1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11(10-15(2,16-3)14(18)19)20-13-8-6-7-12(9-13)17(4)5/h6-9,11,16H,10H2,1-5H3,(H,18,19)
InChIKeyDXENGWYIONLNIK-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]-2-methylpentanenitrile
CID 64726650
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid (CID 64708993) is 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid is CNC(C)(CC(C)Oc1cccc(N(C)C)c1)C(=O)O.
What is the InChIKey of 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is DXENGWYIONLNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(10-15(2,16-3)14(18)19)20-13-8-6-7-12(9-13)17(4)5/h6-9,11,16H,10H2,1-5H3,(H,18,19).
What are the key properties of 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid?
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64708993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).