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

C12H15BrClN5 — CID 107996077

IUPAC1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClN5/c1-3-15-11(7-12-16-18-19(2)17-12)9-5-4-8(14)6-10(9)13/h4-6,11,15H,3,7H2,1-2H3
InChIKeyPGDPPCYLTVRTIE-UHFFFAOYSA-N
MW344.64 g/mol
LogP2.52
Rot. Bonds5

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

1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107996077) has the molecular formula C12H15BrClN5 and a molecular weight of 344.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107996077
Molecular FormulaC12H15BrClN5
Molecular Weight344.64 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClN5/c1-3-15-11(7-12-16-18-19(2)17-12)9-5-4-8(14)6-10(9)13/h4-6,11,15H,3,7H2,1-2H3
InChIKeyPGDPPCYLTVRTIE-UHFFFAOYSA-N
XLogP2.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-bromo-4-chlorophenyl)-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-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050491
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107996069
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049322
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
CID 107066106
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107996077) is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is PGDPPCYLTVRTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5/c1-3-15-11(7-12-16-18-19(2)17-12)9-5-4-8(14)6-10(9)13/h4-6,11,15H,3,7H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 344.64 g/mol, XLogP of 2.52, 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-chlorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107996077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).