N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine

C10H11ClFN5 — CID 55109239

IUPACN-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN5/c1-2-13-6-10-14-15-16-17(10)9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyVMPVIGLUBSQTGG-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.56
Rot. Bonds4

About N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 55109239) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID55109239
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN5/c1-2-13-6-10-14-15-16-17(10)9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3
InChIKeyVMPVIGLUBSQTGG-UHFFFAOYSA-N
XLogP1.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
1H-Tetrazole, 1-(4-chlorophenyl)-5-methyl-
CID 581477
(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methanamine hydrochloride
CID 2968624
1-(2-chloroethyl)-3-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566108
4-fluoro-N-[1-(1-phenyltetrazol-5-yl)ethyl]aniline
CID 71991030
2-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-N-methylbutan-2-amine
CID 3378673
1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]-N-methylcyclohexanamine
CID 4652321
1-[1-(3-chlorophenyl)-1H-tetraazol-5-yl]-N-ethylcyclohexanamine
CID 53297703
1-(4-Chlorophenyl)-5-(2-dimethylaminoethenyl)-1H-tetrazole
CID 5367727
[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methanamine hydrochloride
CID 71779055
1-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)ethan-1-amine hydrochloride
CID 137942924
({[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}sulfamoyl)dimethylamine
CID 18565856

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine (CID 55109239) is N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1ccc(F)cc1Cl.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is VMPVIGLUBSQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c1-2-13-6-10-14-15-16-17(10)9-4-3-7(12)5-8(9)11/h3-5,13H,2,6H2,1H3.
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 255.68 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 55109239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).