2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine

C20H24N4 — CID 124810142

IUPAC2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine
SMILESCC(C)n1nc(CNCCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H24N4/c1-16(2)24-22-19(20(23-24)18-11-7-4-8-12-18)15-21-14-13-17-9-5-3-6-10-17/h3-12,16,21H,13-15H2,1-2H3
InChIKeyZBQASHOKCHQDSA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.86
Rot. Bonds7

About 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine

2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine (PubChem CID 124810142) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine
PubChem CID124810142
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine
SMILESCC(C)n1nc(CNCCc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C20H24N4/c1-16(2)24-22-19(20(23-24)18-11-7-4-8-12-18)15-21-14-13-17-9-5-3-6-10-17/h3-12,16,21H,13-15H2,1-2H3
InChIKeyZBQASHOKCHQDSA-UHFFFAOYSA-N
XLogP3.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 133108212
(2S)-4-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]butan-2-amine
CID 124806079
2-(4-chlorophenyl)-N-[(2-methyl-5-phenyltriazol-4-yl)methyl]ethanamine
CID 124806285
(2S)-N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124830978
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124804746
N-[(2-ethyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-1-amine
CID 94073987
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
(2R)-1-[(2-benzyl-5-phenyltriazol-4-yl)methylamino]propan-2-ol
CID 51684317
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
2-[3-[(2-ethyl-5-phenyltriazol-4-yl)methylamino]propylamino]ethanol
CID 125114243

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine (CID 124810142) is 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine is CC(C)n1nc(CNCCc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine?
The InChIKey is ZBQASHOKCHQDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-16(2)24-22-19(20(23-24)18-11-7-4-8-12-18)15-21-14-13-17-9-5-3-6-10-17/h3-12,16,21H,13-15H2,1-2H3.
What are the key properties of 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine?
2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine has a molecular weight of 320.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-phenyl-2-propan-2-yltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 124810142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).