1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C9H12BrN5O — CID 107064877

IUPAC1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccoc1Br
InChIInChI=1S/C9H12BrN5O/c1-11-7(6-3-4-16-9(6)10)5-8-12-14-15(2)13-8/h3-4,7,11H,5H2,1-2H3
InChIKeySKXBHHBSRITTMC-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.07
Rot. Bonds4

About 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107064877) has the molecular formula C9H12BrN5O and a molecular weight of 286.13 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107064877
Molecular FormulaC9H12BrN5O
Molecular Weight286.13 g/mol
Exact Mass285.02
IUPAC Name1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccoc1Br
InChIInChI=1S/C9H12BrN5O/c1-11-7(6-3-4-16-9(6)10)5-8-12-14-15(2)13-8/h3-4,7,11H,5H2,1-2H3
InChIKeySKXBHHBSRITTMC-UHFFFAOYSA-N
XLogP1.07
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-bromofuran-3-yl)-N-methyl-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

N-methyl-2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethanamine
CID 107065105
1-(2-bromofuran-3-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylethanamine
CID 106857916
1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050582
1-(2-bromofuran-3-yl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 106858090
1-(2-bromofuran-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 106857333
1-(2-bromofuran-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106858291
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
[1-(2-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066919
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107064877) is 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is SKXBHHBSRITTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5O/c1-11-7(6-3-4-16-9(6)10)5-8-12-14-15(2)13-8/h3-4,7,11H,5H2,1-2H3.
What are the key properties of 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 286.13 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107064877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).