1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine

C10H11Br2N5 — CID 103084917

IUPAC1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1cc(Br)c(-n2nnnc2C(C)N)c(Br)c1
InChIInChI=1S/C10H11Br2N5/c1-5-3-7(11)9(8(12)4-5)17-10(6(2)13)14-15-16-17/h3-4,6H,13H2,1-2H3
InChIKeyOTFVFMMXQQEHLK-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.52
Rot. Bonds2

About 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine

1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084917) has the molecular formula C10H11Br2N5 and a molecular weight of 361.04 g/mol. Its IUPAC name is 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103084917
Molecular FormulaC10H11Br2N5
Molecular Weight361.04 g/mol
Exact Mass358.94
IUPAC Name1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCc1cc(Br)c(-n2nnnc2C(C)N)c(Br)c1
InChIInChI=1S/C10H11Br2N5/c1-5-3-7(11)9(8(12)4-5)17-10(6(2)13)14-15-16-17/h3-4,6H,13H2,1-2H3
InChIKeyOTFVFMMXQQEHLK-UHFFFAOYSA-N
XLogP2.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921
[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]methanamine
CID 62735723
1-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103085118
1-[1-(3-bromophenyl)tetrazol-5-yl]ethanamine;hydrochloride
CID 122714845
1-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086418
1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 82227906
1-[1-(3-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103085965
1-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]ethanamine
CID 103086014
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
5-(1-chloroethyl)-1-(2,4,6-trifluorophenyl)tetrazole
CID 103084581
N-[1-[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine (CID 103084917) is 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine is Cc1cc(Br)c(-n2nnnc2C(C)N)c(Br)c1.
What is the InChIKey of 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is OTFVFMMXQQEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N5/c1-5-3-7(11)9(8(12)4-5)17-10(6(2)13)14-15-16-17/h3-4,6H,13H2,1-2H3.
What are the key properties of 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine?
1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 361.04 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).