5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline

C14H13BrF3NO — CID 107286030

IUPAC5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2cc(Br)ccc2C(F)(F)F)o1
InChIInChI=1S/C14H13BrF3NO/c1-8-3-6-13(20-8)9(2)19-12-7-10(15)4-5-11(12)14(16,17)18/h3-7,9,19H,1-2H3
InChIKeyCQYMSBIIINJEIE-UHFFFAOYSA-N
MW348.16 g/mol
LogP5.54
Rot. Bonds3

About 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline

5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 107286030) has the molecular formula C14H13BrF3NO and a molecular weight of 348.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID107286030
Molecular FormulaC14H13BrF3NO
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1ccc(C(C)Nc2cc(Br)ccc2C(F)(F)F)o1
InChIInChI=1S/C14H13BrF3NO/c1-8-3-6-13(20-8)9(2)19-12-7-10(15)4-5-11(12)14(16,17)18/h3-7,9,19H,1-2H3
InChIKeyCQYMSBIIINJEIE-UHFFFAOYSA-N
XLogP5.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.16
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline 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

5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107286159
5-bromo-N-(4-methylhexan-2-yl)-2-(trifluoromethyl)aniline
CID 107286355
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661
4-bromo-N-[1-(2-methylphenyl)ethyl]-2-(trifluoromethyl)aniline
CID 60790956
2-[5-bromo-2-(trifluoromethyl)phenyl]-1,1-dimethylhydrazine
CID 107286484
2-[5-bromo-2-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 107286522
2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104578482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline (CID 107286030) is 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline is Cc1ccc(C(C)Nc2cc(Br)ccc2C(F)(F)F)o1.
What is the InChIKey of 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is CQYMSBIIINJEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO/c1-8-3-6-13(20-8)9(2)19-12-7-10(15)4-5-11(12)14(16,17)18/h3-7,9,19H,1-2H3.
What are the key properties of 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 348.16 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).