1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

C12H16N4O — CID 62757557

IUPAC1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1cn(C)nn1
InChIInChI=1S/C12H16N4O/c1-16-9-11(14-15-16)8-13-7-10-5-3-4-6-12(10)17-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyMUSRIROSPFQGCS-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.11
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (PubChem CID 62757557) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
PubChem CID62757557
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
SMILESCOc1ccccc1CNCc1cn(C)nn1
InChIInChI=1S/C12H16N4O/c1-16-9-11(14-15-16)8-13-7-10-5-3-4-6-12(10)17-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyMUSRIROSPFQGCS-UHFFFAOYSA-N
XLogP1.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62756157
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103673603
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
N-[(2-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 6485937
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
3,5-dimethoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62757012
N-[(1-methyltriazol-4-yl)methyl]-2-(trifluoromethoxy)aniline
CID 62757923
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine (CID 62757557) is 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is COc1ccccc1CNCc1cn(C)nn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
The InChIKey is MUSRIROSPFQGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-9-11(14-15-16)8-13-7-10-5-3-4-6-12(10)17-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).