1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine

C18H20N4O — CID 141302836

IUPAC1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
SMILESCOc1cccc(-n2cc(NCCc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C18H20N4O/c1-14-6-8-15(9-7-14)10-11-19-18-13-22(21-20-18)16-4-3-5-17(12-16)23-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyWIPFRFMZCISFDG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.24
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine

1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine (PubChem CID 141302836) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
PubChem CID141302836
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
SMILESCOc1cccc(-n2cc(NCCc3ccc(C)cc3)nn2)c1
InChIInChI=1S/C18H20N4O/c1-14-6-8-15(9-7-14)10-11-19-18-13-22(21-20-18)16-4-3-5-17(12-16)23-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyWIPFRFMZCISFDG-UHFFFAOYSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
CID 141302837
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)triazol-4-amine
CID 141264348
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
CID 63997508
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
1-[1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-2-amine
CID 117167633
N-[2-(3-methoxyphenyl)ethyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107850992
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine (CID 141302836) is 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine is COc1cccc(-n2cc(NCCc3ccc(C)cc3)nn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The InChIKey is WIPFRFMZCISFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-6-8-15(9-7-14)10-11-19-18-13-22(21-20-18)16-4-3-5-17(12-16)23-2/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine is sourced from PubChem (CID 141302836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).