2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid

C15H23NO5 — CID 64660777

IUPAC2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
SMILESCCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(=O)O
InChIInChI=1S/C15H23NO5/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyJCWMTMASDAKNCZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid

2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid (PubChem CID 64660777) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
PubChem CID64660777
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
SMILESCCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(=O)O
InChIInChI=1S/C15H23NO5/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyJCWMTMASDAKNCZ-UHFFFAOYSA-N
XLogP1.84
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
2-[4-(2-aminopropyl)-2-bromo-6-ethoxyphenoxy]butanamide
CID 62899307
1-(3,4-dimethoxy-5-methylphosphanyloxyphenyl)propan-2-amine
CID 168931516
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]butanoic acid
CID 113438827
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
2-(2-bromo-4-formyl-6-methoxyphenoxy)butanoic acid
CID 64661147
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid?
The IUPAC name of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid (CID 64660777) is 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid?
The canonical SMILES for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid is CCC(Oc1c(OC)cc(CC(C)N)cc1OC)C(=O)O.
What is the InChIKey of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid?
The InChIKey is JCWMTMASDAKNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-5-11(15(17)18)21-14-12(19-3)7-10(6-9(2)16)8-13(14)20-4/h7-9,11H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid?
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid is sourced from PubChem (CID 64660777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).