1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C13H18N4O — CID 115682134

IUPAC1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1cnnn1C
InChIInChI=1S/C13H18N4O/c1-10(12-6-4-5-7-13(12)18-3)14-8-11-9-15-16-17(11)2/h4-7,9-10,14H,8H2,1-3H3
InChIKeyHGMHBFQGDDZANA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115682134) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115682134
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCOc1ccccc1C(C)NCc1cnnn1C
InChIInChI=1S/C13H18N4O/c1-10(12-6-4-5-7-13(12)18-3)14-8-11-9-15-16-17(11)2/h4-7,9-10,14H,8H2,1-3H3
InChIKeyHGMHBFQGDDZANA-UHFFFAOYSA-N
XLogP1.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 115682303
(1R)-1-(2-methoxyphenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042579
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 104939439
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
5-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 104891443
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115682134) is 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is COc1ccccc1C(C)NCc1cnnn1C.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is HGMHBFQGDDZANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(12-6-4-5-7-13(12)18-3)14-8-11-9-15-16-17(11)2/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.67, 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-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115682134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).