2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid

C14H19F2NO3 — CID 65067890

IUPAC2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO3/c1-4-12(13(18)19)17(3)9(2)10-6-5-7-11(8-10)20-14(15)16/h5-9,12,14H,4H2,1-3H3,(H,18,19)
InChIKeyFQUZEIOPZWVWIK-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.14
Rot. Bonds7

About 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid

2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid (PubChem CID 65067890) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid
PubChem CID65067890
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H19F2NO3/c1-4-12(13(18)19)17(3)9(2)10-6-5-7-11(8-10)20-14(15)16/h5-9,12,14H,4H2,1-3H3,(H,18,19)
InChIKeyFQUZEIOPZWVWIK-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic 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-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]butanoic acid
CID 65060709
2-[1-[3-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65057290
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]propanoic acid
CID 65062861
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
(1R,2S)-1-amino-1-[3-(difluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171262763
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984958
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid?
The IUPAC name of 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid (CID 65067890) is 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid?
The canonical SMILES for 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)C(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid?
The InChIKey is FQUZEIOPZWVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-4-12(13(18)19)17(3)9(2)10-6-5-7-11(8-10)20-14(15)16/h5-9,12,14H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid?
2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid has a molecular weight of 287.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(difluoromethoxy)phenyl]ethyl-methylamino]butanoic acid is sourced from PubChem (CID 65067890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).