3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine

C11H14BrN5 — CID 82228118

IUPAC3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
SMILESCc1ccc(-n2nnnc2CCCN)cc1Br
InChIInChI=1S/C11H14BrN5/c1-8-4-5-9(7-10(8)12)17-11(3-2-6-13)14-15-16-17/h4-5,7H,2-3,6,13H2,1H3
InChIKeyGBWKUKGWROSRFI-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.62
Rot. Bonds4

About 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine

3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine (PubChem CID 82228118) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
PubChem CID82228118
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
SMILESCc1ccc(-n2nnnc2CCCN)cc1Br
InChIInChI=1S/C11H14BrN5/c1-8-4-5-9(7-10(8)12)17-11(3-2-6-13)14-15-16-17/h4-5,7H,2-3,6,13H2,1H3
InChIKeyGBWKUKGWROSRFI-UHFFFAOYSA-N
XLogP1.62
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 82228068
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4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
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3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
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3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
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2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
4-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 63334862
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
[1-(4-bromo-3,5-dimethylphenyl)tetrazol-5-yl]methanamine
CID 107579309
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
1-(3-bromo-4-fluorophenyl)-5-(chloromethyl)tetrazole
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1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine (CID 82228118) is 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine is Cc1ccc(-n2nnnc2CCCN)cc1Br.
What is the InChIKey of 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine?
The InChIKey is GBWKUKGWROSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-8-4-5-9(7-10(8)12)17-11(3-2-6-13)14-15-16-17/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine?
3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine has a molecular weight of 296.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine is sourced from PubChem (CID 82228118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).