N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine

C11H15N5 — CID 103084956

IUPACN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1-c1ccccc1C
InChIInChI=1S/C11H15N5/c1-8-6-4-5-7-10(8)16-11(9(2)12-3)13-14-15-16/h4-7,9,12H,1-3H3
InChIKeyCABAQRSUFZXMOD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine (PubChem CID 103084956) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
PubChem CID103084956
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1-c1ccccc1C
InChIInChI=1S/C11H15N5/c1-8-6-4-5-7-10(8)16-11(9(2)12-3)13-14-15-16/h4-7,9,12H,1-3H3
InChIKeyCABAQRSUFZXMOD-UHFFFAOYSA-N
XLogP1.25
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084941
1-[1-(4-bromo-2,6-dimethylphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103086418
1-[1-(2,5-dimethyl-4-nitrophenyl)tetrazol-5-yl]-N-methylethanamine
CID 103145735
1-[1-(5-bromo-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine
CID 114261284
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009733
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103085062
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
1-(2-bromo-3-methylphenyl)-5-(1-chloroethyl)tetrazole
CID 103084623
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-ethyl-1-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084942
1-(2-bromophenyl)-5-propan-2-yltetrazole
CID 62076489
5-[dichloro-[1-(2-methylphenyl)tetrazol-5-yl]methyl]-1-(2-methylphenyl)tetrazole
CID 3093546

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine (CID 103084956) is N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1-c1ccccc1C.
What is the InChIKey of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine?
The InChIKey is CABAQRSUFZXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-6-4-5-7-10(8)16-11(9(2)12-3)13-14-15-16/h4-7,9,12H,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine has a molecular weight of 217.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103084956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).