1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C13H19N5O2 — CID 107051458

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H19N5O2/c1-14-12(8-13-15-17-18(2)16-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12,14H,8H2,1-4H3
InChIKeySHJHUOKQNZORRR-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.73
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107051458) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107051458
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H19N5O2/c1-14-12(8-13-15-17-18(2)16-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12,14H,8H2,1-4H3
InChIKeySHJHUOKQNZORRR-UHFFFAOYSA-N
XLogP0.73
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048328
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065279
1-(4-methoxyphenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107048734
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050226
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
1-(1H-imidazol-2-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050353
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
(1R)-1-(4-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042566
N-[1-(4-methoxy-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107050578

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107051458) is 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is SHJHUOKQNZORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-14-12(8-13-15-17-18(2)16-13)9-5-10(19-3)7-11(6-9)20-4/h5-7,12,14H,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 277.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107051458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).