2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid

C14H19Cl2NO3 — CID 83037579

IUPAC2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
SMILESCCCC(Oc1c(Cl)cc(Cl)cc1CNCC)C(=O)O
InChIInChI=1S/C14H19Cl2NO3/c1-3-5-12(14(18)19)20-13-9(8-17-4-2)6-10(15)7-11(13)16/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyUEDPWOFTTMRABF-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.73
Rot. Bonds8

About 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid

2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid (PubChem CID 83037579) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
PubChem CID83037579
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
SMILESCCCC(Oc1c(Cl)cc(Cl)cc1CNCC)C(=O)O
InChIInChI=1S/C14H19Cl2NO3/c1-3-5-12(14(18)19)20-13-9(8-17-4-2)6-10(15)7-11(13)16/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyUEDPWOFTTMRABF-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2-[(E)-2-carboxyethenyl]-4,6-dichlorophenoxy]pentanoic acid
CID 83040523
N-carbamoyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515774
2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]pentanoic acid
CID 107742259
N-cyclopropyl-2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]propanamide
CID 43515770
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107890855
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butanamide
CID 63057973
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid?
The IUPAC name of 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid (CID 83037579) is 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid.
What is the SMILES notation for 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid?
The canonical SMILES for 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid is CCCC(Oc1c(Cl)cc(Cl)cc1CNCC)C(=O)O.
What is the InChIKey of 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid?
The InChIKey is UEDPWOFTTMRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-3-5-12(14(18)19)20-13-9(8-17-4-2)6-10(15)7-11(13)16/h6-7,12,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid?
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid has a molecular weight of 320.22 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid is sourced from PubChem (CID 83037579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).