1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

C10H11BrFN5 — CID 107594138

IUPAC1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C10H11BrFN5/c1-6-3-8(12)7(11)4-9(6)17-10(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3
InChIKeySZPNADVJVXFPCB-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.59
Rot. Bonds3

About 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 107594138) has the molecular formula C10H11BrFN5 and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID107594138
Molecular FormulaC10H11BrFN5
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1cc(Br)c(F)cc1C
InChIInChI=1S/C10H11BrFN5/c1-6-3-8(12)7(11)4-9(6)17-10(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3
InChIKeySZPNADVJVXFPCB-UHFFFAOYSA-N
XLogP1.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-5-propyltetrazole
CID 107592775
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907
4-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593850
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62762967
3-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 107593848
1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
CID 103193619
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569
N-[[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62735534

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 107594138) is 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1cc(Br)c(F)cc1C.
What is the InChIKey of 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is SZPNADVJVXFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN5/c1-6-3-8(12)7(11)4-9(6)17-10(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 300.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 107594138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).