5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid

C14H19F2NO3 — CID 65236992

IUPAC5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
SMILESCNC(C)(CCc1ccc(OC(F)F)cc1)CC(=O)O
InChIInChI=1S/C14H19F2NO3/c1-14(17-2,9-12(18)19)8-7-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyRDPBJVXKPMKTPJ-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.67
Rot. Bonds8

About 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid

5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid (PubChem CID 65236992) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
PubChem CID65236992
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
SMILESCNC(C)(CCc1ccc(OC(F)F)cc1)CC(=O)O
InChIInChI=1S/C14H19F2NO3/c1-14(17-2,9-12(18)19)8-7-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,7-9H2,1-2H3,(H,18,19)
InChIKeyRDPBJVXKPMKTPJ-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 43754267
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanenitrile
CID 43114983
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid (CID 65236992) is 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid is CNC(C)(CCc1ccc(OC(F)F)cc1)CC(=O)O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid?
The InChIKey is RDPBJVXKPMKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-14(17-2,9-12(18)19)8-7-10-3-5-11(6-4-10)20-13(15)16/h3-6,13,17H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid?
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid is sourced from PubChem (CID 65236992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).