2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid

C25H25Cl2NO3 — CID 19046451

IUPAC2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(COCc1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25Cl2NO3/c1-28(15-24(29)30)23(17-31-16-18-12-21(26)14-22(27)13-18)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23,25H,15-17H2,1H3,(H,29,30)
InChIKeyJQSHRFBAMQLQNA-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.73
Rot. Bonds10

About 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid

2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid (PubChem CID 19046451) has the molecular formula C25H25Cl2NO3 and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid
PubChem CID19046451
Molecular FormulaC25H25Cl2NO3
Molecular Weight458.39 g/mol
Exact Mass457.12
IUPAC Name2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(COCc1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25Cl2NO3/c1-28(15-24(29)30)23(17-31-16-18-12-21(26)14-22(27)13-18)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23,25H,15-17H2,1H3,(H,29,30)
InChIKeyJQSHRFBAMQLQNA-UHFFFAOYSA-N
XLogP5.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic 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

2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
tert-butyl 2-[(3,5-dimethylphenyl)methoxymethyl]-3,3-diphenylpropanoate
CID 19049320
2-[[(1R,2S)-1-(3-chlorophenyl)sulfanyl-1-phenoxybutan-2-yl]-methylamino]acetic acid
CID 125473210
2-[acetyl(1-phenylethyl)amino]-N-(3,5-dichlorophenyl)acetamide
CID 113162117
methyl 2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-yl]oxyacetate
CID 86749907
2-[benzyl-[(2S)-2-chloro-3-phenylmethoxypropyl]amino]acetic acid
CID 139578405
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
1-[1-methoxypropan-2-yl(methyl)amino]-3-phenylpropan-2-one
CID 54946725
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
2-[[(2S,3S)-3-(4-chlorophenyl)butan-2-yl]-methylamino]acetic acid
CID 100639003

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid (CID 19046451) is 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid is CN(CC(=O)O)C(COCc1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid?
The InChIKey is JQSHRFBAMQLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2NO3/c1-28(15-24(29)30)23(17-31-16-18-12-21(26)14-22(27)13-18)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23,25H,15-17H2,1H3,(H,29,30).
What are the key properties of 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid?
2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid has a molecular weight of 458.39 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,5-dichlorophenyl)methoxy]-1,1-diphenylpropan-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 19046451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).