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

C10H9BrF3N5 — CID 107286159

IUPAC5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1cc(Br)ccc1C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C10H9BrF3N5/c1-5(9-16-18-19-17-9)15-8-4-6(11)2-3-7(8)10(12,13)14/h2-5,15H,1H3,(H,16,17,18,19)
InChIKeyUMPLBPGNCJADBF-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.15
Rot. Bonds3

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

5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 107286159) has the molecular formula C10H9BrF3N5 and a molecular weight of 336.12 g/mol. Its IUPAC name is 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID107286159
Molecular FormulaC10H9BrF3N5
Molecular Weight336.12 g/mol
Exact Mass335.00
IUPAC Name5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCC(Nc1cc(Br)ccc1C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C10H9BrF3N5/c1-5(9-16-18-19-17-9)15-8-4-6(11)2-3-7(8)10(12,13)14/h2-5,15H,1H3,(H,16,17,18,19)
InChIKeyUMPLBPGNCJADBF-UHFFFAOYSA-N
XLogP3.15
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[1-(2H-tetrazol-5-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-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 65341832
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107286030
5-bromo-N-(4-methylhexan-2-yl)-2-(trifluoromethyl)aniline
CID 107286355
2-[5-bromo-2-(trifluoromethyl)anilino]-3-methoxypropan-1-ol
CID 106186614
5-bromo-N-(2-ethoxypropyl)-2-(trifluoromethyl)aniline
CID 107286561
5-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 107285802
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
5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 107286207
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
5-bromo-2-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43555398
5-bromo-N-butyl-2-(trifluoromethyl)aniline
CID 107285846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline (CID 107286159) is 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline is CC(Nc1cc(Br)ccc1C(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is UMPLBPGNCJADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N5/c1-5(9-16-18-19-17-9)15-8-4-6(11)2-3-7(8)10(12,13)14/h2-5,15H,1H3,(H,16,17,18,19).
What are the key properties of 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 336.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).