2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid

C11H13Cl2NO3 — CID 66527432

IUPAC2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
SMILESCCOc1c(Cl)cc(Cl)cc1CNCC(=O)O
InChIInChI=1S/C11H13Cl2NO3/c1-2-17-11-7(5-14-6-10(15)16)3-8(12)4-9(11)13/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyVQPNGSAPVTXATD-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.57
Rot. Bonds6

About 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid

2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid (PubChem CID 66527432) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
PubChem CID66527432
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
SMILESCCOc1c(Cl)cc(Cl)cc1CNCC(=O)O
InChIInChI=1S/C11H13Cl2NO3/c1-2-17-11-7(5-14-6-10(15)16)3-8(12)4-9(11)13/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyVQPNGSAPVTXATD-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 102536589
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717180
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
CID 66532195
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823
2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
ethyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetate
CID 63057969
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209034
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid (CID 66527432) is 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid is CCOc1c(Cl)cc(Cl)cc1CNCC(=O)O.
What is the InChIKey of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid?
The InChIKey is VQPNGSAPVTXATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-2-17-11-7(5-14-6-10(15)16)3-8(12)4-9(11)13/h3-4,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid?
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid has a molecular weight of 278.13 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 66527432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).