N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine

C11H13Br2N5 — CID 107603620

IUPACN-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1c(Br)cccc1Br
InChIInChI=1S/C11H13Br2N5/c1-7(2)14-6-10-15-16-17-18(10)11-8(12)4-3-5-9(11)13/h3-5,7,14H,6H2,1-2H3
InChIKeyVZMHRTYNULTMRE-UHFFFAOYSA-N
MW375.07 g/mol
LogP2.69
Rot. Bonds4

About N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 107603620) has the molecular formula C11H13Br2N5 and a molecular weight of 375.07 g/mol. Its IUPAC name is N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID107603620
Molecular FormulaC11H13Br2N5
Molecular Weight375.07 g/mol
Exact Mass372.95
IUPAC NameN-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1-c1c(Br)cccc1Br
InChIInChI=1S/C11H13Br2N5/c1-7(2)14-6-10-15-16-17-18(10)11-8(12)4-3-5-9(11)13/h3-5,7,14H,6H2,1-2H3
InChIKeyVZMHRTYNULTMRE-UHFFFAOYSA-N
XLogP2.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-bromo-2-methylphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107639406
N-[[1-(3-chlorophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737561
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
2-methyl-N-[[1-(2,4,6-tribromophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735899
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
N-[[1-(2-bromo-4-methyl-5-nitrophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 104815556
(2S,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345367
(2R,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345368
N-[[1-[4-methyl-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62762257
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 107603626
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 66475670

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine (CID 107603620) is N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1-c1c(Br)cccc1Br.
What is the InChIKey of N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is VZMHRTYNULTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5/c1-7(2)14-6-10-15-16-17-18(10)11-8(12)4-3-5-9(11)13/h3-5,7,14H,6H2,1-2H3.
What are the key properties of N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 375.07 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 107603620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).