2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid

C14H20ClNO5 — CID 104665197

IUPAC2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
SMILESCOCCNCc1cc(Cl)cc(OC)c1OC(C)C(=O)O
InChIInChI=1S/C14H20ClNO5/c1-9(14(17)18)21-13-10(8-16-4-5-19-2)6-11(15)7-12(13)20-3/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeySWICKYWBJDFZKA-UHFFFAOYSA-N
MW317.77 g/mol
LogP1.94
Rot. Bonds9

About 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid

2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid (PubChem CID 104665197) has the molecular formula C14H20ClNO5 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
PubChem CID104665197
Molecular FormulaC14H20ClNO5
Molecular Weight317.77 g/mol
Exact Mass317.10
IUPAC Name2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
SMILESCOCCNCc1cc(Cl)cc(OC)c1OC(C)C(=O)O
InChIInChI=1S/C14H20ClNO5/c1-9(14(17)18)21-13-10(8-16-4-5-19-2)6-11(15)7-12(13)20-3/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeySWICKYWBJDFZKA-UHFFFAOYSA-N
XLogP1.94
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 104665187
2-[2-ethoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 63055961
N-[[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106437144
2-[4-chloro-2-methoxy-6-(pyrrolidin-1-ylmethyl)phenoxy]propanoic acid
CID 77089818
3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 102536589
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
2-[2-chloro-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63062500
3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 104665105
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid (CID 104665197) is 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid is COCCNCc1cc(Cl)cc(OC)c1OC(C)C(=O)O.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
The InChIKey is SWICKYWBJDFZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO5/c1-9(14(17)18)21-13-10(8-16-4-5-19-2)6-11(15)7-12(13)20-3/h6-7,9,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid?
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid has a molecular weight of 317.77 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid is sourced from PubChem (CID 104665197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).