3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline

C24H24N4O2 — CID 167814790

IUPAC3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCOc1cccc(COc2cccc(NCc3ncnn3-c3ccccc3)c2C)c1
InChIInChI=1S/C24H24N4O2/c1-18-22(25-15-24-26-17-27-28(24)20-9-4-3-5-10-20)12-7-13-23(18)30-16-19-8-6-11-21(14-19)29-2/h3-14,17,25H,15-16H2,1-2H3
InChIKeyBWFNZVMOPAASLS-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.78
Rot. Bonds8

About 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline

3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline (PubChem CID 167814790) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline
PubChem CID167814790
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline
SMILESCOc1cccc(COc2cccc(NCc3ncnn3-c3ccccc3)c2C)c1
InChIInChI=1S/C24H24N4O2/c1-18-22(25-15-24-26-17-27-28(24)20-9-4-3-5-10-20)12-7-13-23(18)30-16-19-8-6-11-21(14-19)29-2/h3-14,17,25H,15-16H2,1-2H3
InChIKeyBWFNZVMOPAASLS-UHFFFAOYSA-N
XLogP4.78
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 75389970
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 84590450
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-2-phenylbenzamide
CID 166328881
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 166427866
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-1,2-oxazole-3-carboxamide
CID 75433097
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline (CID 167814790) is 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline is COc1cccc(COc2cccc(NCc3ncnn3-c3ccccc3)c2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline?
The InChIKey is BWFNZVMOPAASLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-22(25-15-24-26-17-27-28(24)20-9-4-3-5-10-20)12-7-13-23(18)30-16-19-8-6-11-21(14-19)29-2/h3-14,17,25H,15-16H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline?
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline has a molecular weight of 400.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline is sourced from PubChem (CID 167814790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).