3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline

C19H22N4O2 — CID 75389970

IUPAC3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(COc2cccc(NCc3cnnn3C)c2C)c1
InChIInChI=1S/C19H22N4O2/c1-14-18(20-11-16-12-21-22-23(16)2)8-5-9-19(14)25-13-15-6-4-7-17(10-15)24-3/h4-10,12,20H,11,13H2,1-3H3
InChIKeySCQIXZNKCGWMJY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.32
Rot. Bonds7

About 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline

3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 75389970) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID75389970
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(COc2cccc(NCc3cnnn3C)c2C)c1
InChIInChI=1S/C19H22N4O2/c1-14-18(20-11-16-12-21-22-23(16)2)8-5-9-19(14)25-13-15-6-4-7-17(10-15)24-3/h4-10,12,20H,11,13H2,1-3H3
InChIKeySCQIXZNKCGWMJY-UHFFFAOYSA-N
XLogP3.32
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]aniline
CID 167814790
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 84590450
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
2-chloro-2-fluoro-N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]acetamide
CID 166427866
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-1,2-oxazole-3-carboxamide
CID 75433097
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
CID 81237760
N-[3-[(3-methoxyphenyl)methoxy]-2-methylphenyl]-2-phenylbenzamide
CID 166328881
1-methoxy-3-[(2-propan-2-ylphenoxy)methyl]benzene
CID 60627362

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 75389970) is 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline is COc1cccc(COc2cccc(NCc3cnnn3C)c2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is SCQIXZNKCGWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-18(20-11-16-12-21-22-23(16)2)8-5-9-19(14)25-13-15-6-4-7-17(10-15)24-3/h4-10,12,20H,11,13H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline?
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 338.41 g/mol, XLogP of 3.32, 7 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-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 75389970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).