2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid

C14H19F2NO2 — CID 84747042

IUPAC2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)13(14(18)19)10-6-7-11(15)12(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWGRWZCWXWRNHAY-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.21
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid

2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid (PubChem CID 84747042) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
PubChem CID84747042
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)13(14(18)19)10-6-7-11(15)12(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyWGRWZCWXWRNHAY-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 84748642
2-(3,4-difluorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702483
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid (CID 84747042) is 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid is CCCCN(CC)C(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid?
The InChIKey is WGRWZCWXWRNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-3-5-8-17(4-2)13(14(18)19)10-6-7-11(15)12(16)9-10/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid?
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid has a molecular weight of 271.31 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid is sourced from PubChem (CID 84747042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).