2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid

C14H19F2NO3 — CID 65060590

IUPAC2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
SMILESCC(c1ccccc1OC(F)F)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19F2NO3/c1-9(17(4)14(2,3)12(18)19)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,1-4H3,(H,18,19)
InChIKeyUJGBFBDUCIKURB-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.14
Rot. Bonds6

About 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid

2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 65060590) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
PubChem CID65060590
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
SMILESCC(c1ccccc1OC(F)F)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H19F2NO3/c1-9(17(4)14(2,3)12(18)19)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,1-4H3,(H,18,19)
InChIKeyUJGBFBDUCIKURB-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic 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-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
CID 43803066
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 79797474
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
methyl (3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropanoate
CID 171243498
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid (CID 65060590) is 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid is CC(c1ccccc1OC(F)F)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is UJGBFBDUCIKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-9(17(4)14(2,3)12(18)19)10-7-5-6-8-11(10)20-13(15)16/h5-9,13H,1-4H3,(H,18,19).
What are the key properties of 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid?
2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 287.31 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65060590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).