4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid

C14H18F3NO2 — CID 62701815

IUPAC4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
SMILESCCCCN(CC)c1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-3-5-8-18(4-2)10-6-7-11(13(19)20)12(9-10)14(15,16)17/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKeySNAMNVFAJUUXAH-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.03
Rot. Bonds6

About 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid

4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid (PubChem CID 62701815) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
PubChem CID62701815
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
SMILESCCCCN(CC)c1ccc(C(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-3-5-8-18(4-2)10-6-7-11(13(19)20)12(9-10)14(15,16)17/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKeySNAMNVFAJUUXAH-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
CID 114900716
4-[butyl(ethyl)amino]-2-nitrobenzoic acid
CID 113419608
4-(dibutylamino)-2-fluorobenzoic acid
CID 113319789
4-[3-(dimethylamino)propyl-methylamino]-2-(trifluoromethyl)benzoic acid
CID 63726558
4-(dioctylamino)phthalic acid
CID 20818058
4-[3-(dimethylamino)propyl-ethylamino]-2-methylbenzoic acid
CID 102993991
4-[butyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935574
2-amino-4-[3-(dimethylamino)propyl-ethylamino]benzoic acid
CID 102995966
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
CID 70518860
4-(dibutylamino)-2-(trifluoromethyl)benzonitrile
CID 11392366

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid (CID 62701815) is 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid is CCCCN(CC)c1ccc(C(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid?
The InChIKey is SNAMNVFAJUUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-5-8-18(4-2)10-6-7-11(13(19)20)12(9-10)14(15,16)17/h6-7,9H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid?
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid has a molecular weight of 289.30 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 62701815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).