1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

C13H18BrN5 — CID 107065389

IUPAC1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccc(C)cc1Br
InChIInChI=1S/C13H18BrN5/c1-4-15-12(8-13-16-18-19(3)17-13)10-6-5-9(2)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3
InChIKeyJZQFXPQSFGJHJG-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.17
Rot. Bonds5

About 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107065389) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107065389
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccc(C)cc1Br
InChIInChI=1S/C13H18BrN5/c1-4-15-12(8-13-16-18-19(3)17-13)10-6-5-9(2)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3
InChIKeyJZQFXPQSFGJHJG-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine 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

1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996077
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107065389) is 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is JZQFXPQSFGJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-4-15-12(8-13-16-18-19(3)17-13)10-6-5-9(2)7-11(10)14/h5-7,12,15H,4,8H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 324.23 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107065389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).