1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

C10H11F2N5 — CID 82819907

IUPAC1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1c(F)ccc(C)c1F
InChIInChI=1S/C10H11F2N5/c1-6-3-4-7(11)10(9(6)12)17-8(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3
InChIKeyDXJCTOYKVZHVLY-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 82819907) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID82819907
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1c(F)ccc(C)c1F
InChIInChI=1S/C10H11F2N5/c1-6-3-4-7(11)10(9(6)12)17-8(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3
InChIKeyDXJCTOYKVZHVLY-UHFFFAOYSA-N
XLogP0.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-[1-(5-bromo-4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 107594138
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107646049
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62762967
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
N-[[3-(2,6-difluoro-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451818

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine (CID 82819907) is 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1c(F)ccc(C)c1F.
What is the InChIKey of 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is DXJCTOYKVZHVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-6-3-4-7(11)10(9(6)12)17-8(5-13-2)14-15-16-17/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 239.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82819907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).