1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C19H22N4O — CID 75475922

IUPAC1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cc(-c2ccccc2)ccc1CN(C)Cc1ncnn1C
InChIInChI=1S/C19H22N4O/c1-22(13-19-20-14-21-23(19)2)12-17-10-9-16(11-18(17)24-3)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyUMVVKOAZOLFGGO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.12
Rot. Bonds6

About 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 75475922) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID75475922
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cc(-c2ccccc2)ccc1CN(C)Cc1ncnn1C
InChIInChI=1S/C19H22N4O/c1-22(13-19-20-14-21-23(19)2)12-17-10-9-16(11-18(17)24-3)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3
InChIKeyUMVVKOAZOLFGGO-UHFFFAOYSA-N
XLogP3.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 75475922) is 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine is COc1cc(-c2ccccc2)ccc1CN(C)Cc1ncnn1C.
What is the InChIKey of 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is UMVVKOAZOLFGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(13-19-20-14-21-23(19)2)12-17-10-9-16(11-18(17)24-3)15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 322.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-phenylphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 75475922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).