1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

C10H12BrN5 — CID 107048405

IUPAC1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2cccc(Br)c2)n1
InChIInChI=1S/C10H12BrN5/c1-16-14-10(13-15-16)6-9(12)7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3
InChIKeyWIYXCTKBQIJFML-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107048405) has the molecular formula C10H12BrN5 and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107048405
Molecular FormulaC10H12BrN5
Molecular Weight282.15 g/mol
Exact Mass281.03
IUPAC Name1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCn1nnc(CC(N)c2cccc(Br)c2)n1
InChIInChI=1S/C10H12BrN5/c1-16-14-10(13-15-16)6-9(12)7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3
InChIKeyWIYXCTKBQIJFML-UHFFFAOYSA-N
XLogP1.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
CID 124626246
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
[1-(2,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066786
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
CID 107049175
[1-(5-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066756

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107048405) is 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is Cn1nnc(CC(N)c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is WIYXCTKBQIJFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-16-14-10(13-15-16)6-9(12)7-3-2-4-8(11)5-7/h2-5,9H,6,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 282.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107048405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).