2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid

C18H19F2NO3 — CID 166267667

IUPAC2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid
SMILESCC(C)c1ccc(O)c(CNC(C(=O)O)c2cc(F)ccc2F)c1
InChIInChI=1S/C18H19F2NO3/c1-10(2)11-3-6-16(22)12(7-11)9-21-17(18(23)24)14-8-13(19)4-5-15(14)20/h3-8,10,17,21-22H,9H2,1-2H3,(H,23,24)
InChIKeyCOWRNAODLMPHQZ-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.71
Rot. Bonds6

About 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid

2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid (PubChem CID 166267667) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid
PubChem CID166267667
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid
SMILESCC(C)c1ccc(O)c(CNC(C(=O)O)c2cc(F)ccc2F)c1
InChIInChI=1S/C18H19F2NO3/c1-10(2)11-3-6-16(22)12(7-11)9-21-17(18(23)24)14-8-13(19)4-5-15(14)20/h3-8,10,17,21-22H,9H2,1-2H3,(H,23,24)
InChIKeyCOWRNAODLMPHQZ-UHFFFAOYSA-N
XLogP3.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)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-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104
2-(2,5-difluorophenyl)-2-[[6-(dimethylamino)-3-pyridinyl]methylamino]acetic acid
CID 167776127
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 169242567
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
CID 54891273
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid (CID 166267667) is 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid is CC(C)c1ccc(O)c(CNC(C(=O)O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid?
The InChIKey is COWRNAODLMPHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-10(2)11-3-6-16(22)12(7-11)9-21-17(18(23)24)14-8-13(19)4-5-15(14)20/h3-8,10,17,21-22H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid?
2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid has a molecular weight of 335.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid is sourced from PubChem (CID 166267667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).