1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine

C12H17N5O2 — CID 103085062

IUPAC1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17N5O2/c1-8(13-2)12-14-15-16-17(12)9-5-10(18-3)7-11(6-9)19-4/h5-8,13H,1-4H3
InChIKeyRAUWBCJTTPFMPE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.96
Rot. Bonds5

About 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine

1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine (PubChem CID 103085062) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
PubChem CID103085062
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1nnnn1-c1cc(OC)cc(OC)c1
InChIInChI=1S/C12H17N5O2/c1-8(13-2)12-14-15-16-17(12)9-5-10(18-3)7-11(6-9)19-4/h5-8,13H,1-4H3
InChIKeyRAUWBCJTTPFMPE-UHFFFAOYSA-N
XLogP0.96
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084879
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
1-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine
CID 103084830
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956
1-(2-fluoro-4-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 75428184
(1R)-1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]ethanamine
CID 97322511
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-(5-bromo-2-iodophenyl)tetrazol-5-yl]-N-methylethanamine
CID 114261284
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
1-[1-(3-bromo-4-methoxyphenyl)tetrazol-5-yl]-N-ethylethanamine
CID 103086450
ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
CID 144718344

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine (CID 103085062) is 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine is CNC(C)c1nnnn1-c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
The InChIKey is RAUWBCJTTPFMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8(13-2)12-14-15-16-17(12)9-5-10(18-3)7-11(6-9)19-4/h5-8,13H,1-4H3.
What are the key properties of 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine?
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine has a molecular weight of 263.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 103085062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).