N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C12H15BrFN5 — CID 107603622

IUPACN-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnnn1-c1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN5/c1-12(2,3)15-7-10-16-17-18-19(10)11-8(13)5-4-6-9(11)14/h4-6,15H,7H2,1-3H3
InChIKeyKFYCUJLMAONVRW-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.45
Rot. Bonds3

About N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107603622) has the molecular formula C12H15BrFN5 and a molecular weight of 328.19 g/mol. Its IUPAC name is N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID107603622
Molecular FormulaC12H15BrFN5
Molecular Weight328.19 g/mol
Exact Mass327.05
IUPAC NameN-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nnnn1-c1c(F)cccc1Br
InChIInChI=1S/C12H15BrFN5/c1-12(2,3)15-7-10-16-17-18-19(10)11-8(13)5-4-6-9(11)14/h4-6,15H,7H2,1-3H3
InChIKeyKFYCUJLMAONVRW-UHFFFAOYSA-N
XLogP2.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
N-[[1-(2,6-dibromophenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 107603620
N-[1-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 107603626
N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451253
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907
N-[[1-(2-bromo-4,6-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62737789
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62763326
2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737935
N-[[1-(2,3-difluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62763143
N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 107600717
3-[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]-5-fluoroaniline
CID 107603049

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 107603622) is N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nnnn1-c1c(F)cccc1Br.
What is the InChIKey of N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KFYCUJLMAONVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN5/c1-12(2,3)15-7-10-16-17-18-19(10)11-8(13)5-4-6-9(11)14/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107603622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).