1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine

C10H9BrF3N5O — CID 103193619

IUPAC1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3N5O/c1-15-5-9-16-17-18-19(9)7-3-2-6(11)4-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3
InChIKeyUVGMOVCZFDLPHL-UHFFFAOYSA-N
MW352.11 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine

1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine (PubChem CID 103193619) has the molecular formula C10H9BrF3N5O and a molecular weight of 352.11 g/mol. Its IUPAC name is 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
PubChem CID103193619
Molecular FormulaC10H9BrF3N5O
Molecular Weight352.11 g/mol
Exact Mass350.99
IUPAC Name1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C10H9BrF3N5O/c1-15-5-9-16-17-18-19(9)7-3-2-6(11)4-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3
InChIKeyUVGMOVCZFDLPHL-UHFFFAOYSA-N
XLogP2.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737936
N-[[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62738119
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
1-(4-bromo-2-methylphenyl)-5-propyltetrazole
CID 62083280
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
1-[1-(2-benzylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62735546
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine (CID 103193619) is 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is UVGMOVCZFDLPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N5O/c1-15-5-9-16-17-18-19(9)7-3-2-6(11)4-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3.
What are the key properties of 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine?
1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 352.11 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-bromo-2-(trifluoromethoxy)phenyl]tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103193619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).