2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine

C21H26N4O — CID 124804746

IUPAC2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nc(CNCCc2ccc(OC)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O/c1-3-15-25-23-20(21(24-25)18-7-5-4-6-8-18)16-22-14-13-17-9-11-19(26-2)12-10-17/h4-12,22H,3,13-16H2,1-2H3
InChIKeyGNOJIHGBIHXNAZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.70
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 124804746) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
PubChem CID124804746
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nc(CNCCc2ccc(OC)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O/c1-3-15-25-23-20(21(24-25)18-7-5-4-6-8-18)16-22-14-13-17-9-11-19(26-2)12-10-17/h4-12,22H,3,13-16H2,1-2H3
InChIKeyGNOJIHGBIHXNAZ-UHFFFAOYSA-N
XLogP3.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529
2-(4-chlorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]ethanamine
CID 124806285
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124796633
2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine
CID 124810142
2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine (CID 124804746) is 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine is CCCn1nc(CNCCc2ccc(OC)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is GNOJIHGBIHXNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-3-15-25-23-20(21(24-25)18-7-5-4-6-8-18)16-22-14-13-17-9-11-19(26-2)12-10-17/h4-12,22H,3,13-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 350.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 124804746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).