2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid

C17H17Cl2NO3 — CID 173183157

IUPAC2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
SMILESCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2/h3-8,10,20H,9H2,1-2H3,(H,21,22)
InChIKeyKPOIEZHIPFLSQQ-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.80
Rot. Bonds6

About 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid

2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid (PubChem CID 173183157) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
PubChem CID173183157
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
SMILESCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1
InChIInChI=1S/C17H17Cl2NO3/c1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2/h3-8,10,20H,9H2,1-2H3,(H,21,22)
InChIKeyKPOIEZHIPFLSQQ-UHFFFAOYSA-N
XLogP4.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid
CID 173183156
2-[3,5-dibromo-4-[[3-(methylamino)phenyl]methoxy]phenyl]acetic acid
CID 69246244
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
3-[4-[(3-aminophenyl)methoxy]-3,5-dichlorophenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
CID 158426191
2-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propanoic acid
CID 66528734
2-[3,5-dichloro-4-[[3-chloro-5-(methylamino)phenyl]methoxy]phenyl]acetic acid
CID 69242740
2-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66528776
3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
CID 43351625
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid (CID 173183157) is 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid is CNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.
What is the InChIKey of 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid?
The InChIKey is KPOIEZHIPFLSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2/h3-8,10,20H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid?
2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid has a molecular weight of 354.23 g/mol, XLogP of 4.80, 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-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 173183157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).