1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine

C20H24N4O2 — CID 163824053

IUPAC1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2c(-c3ccc(C)cc3)nnn2C)c(OC)c1
InChIInChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)20-18(24(2)23-22-20)13-21-12-16-9-10-17(25-3)11-19(16)26-4/h5-11,21H,12-13H2,1-4H3
InChIKeyJDFGLWNAFFMLOU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.10
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine (PubChem CID 163824053) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine
PubChem CID163824053
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine
SMILESCOc1ccc(CNCc2c(-c3ccc(C)cc3)nnn2C)c(OC)c1
InChIInChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)20-18(24(2)23-22-20)13-21-12-16-9-10-17(25-3)11-19(16)26-4/h5-11,21H,12-13H2,1-4H3
InChIKeyJDFGLWNAFFMLOU-UHFFFAOYSA-N
XLogP3.10
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 60962263
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80708230
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine (CID 163824053) is 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine is COc1ccc(CNCc2c(-c3ccc(C)cc3)nnn2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine?
The InChIKey is JDFGLWNAFFMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-5-7-15(8-6-14)20-18(24(2)23-22-20)13-21-12-16-9-10-17(25-3)11-19(16)26-4/h5-11,21H,12-13H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine has a molecular weight of 352.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 163824053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).