[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine

C18H20N4 — CID 82200300

IUPAC[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
SMILESCc1ccc(CCc2c(CN)nnn2-c2ccccc2)cc1
InChIInChI=1S/C18H20N4/c1-14-7-9-15(10-8-14)11-12-18-17(13-19)20-21-22(18)16-5-3-2-4-6-16/h2-10H,11-13,19H2,1H3
InChIKeyZNBRBFQMZPHQJH-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.82
Rot. Bonds5

About [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine

[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine (PubChem CID 82200300) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
PubChem CID82200300
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
SMILESCc1ccc(CCc2c(CN)nnn2-c2ccccc2)cc1
InChIInChI=1S/C18H20N4/c1-14-7-9-15(10-8-14)11-12-18-17(13-19)20-21-22(18)16-5-3-2-4-6-16/h2-10H,11-13,19H2,1H3
InChIKeyZNBRBFQMZPHQJH-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
5-[2-(4-methylphenyl)ethyl]-1-phenyltriazole-4-carbonitrile
CID 82200234
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
[5-(3-phenoxypropyl)-1-phenyltriazol-4-yl]methanamine
CID 94939895
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453
[1-(4-phenoxyphenyl)-5-propyltriazol-4-yl]methanamine
CID 94938513
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200264
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine?
The IUPAC name of [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine (CID 82200300) is [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine?
The canonical SMILES for [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine is Cc1ccc(CCc2c(CN)nnn2-c2ccccc2)cc1.
What is the InChIKey of [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine?
The InChIKey is ZNBRBFQMZPHQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-7-9-15(10-8-14)11-12-18-17(13-19)20-21-22(18)16-5-3-2-4-6-16/h2-10H,11-13,19H2,1H3.
What are the key properties of [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine?
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine is sourced from PubChem (CID 82200300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).