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

C20H23FN4 — CID 124808324

IUPAC2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nc(CNCCc2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C20H23FN4/c1-2-14-25-23-19(20(24-25)17-9-4-3-5-10-17)15-22-13-12-16-8-6-7-11-18(16)21/h3-11,22H,2,12-15H2,1H3
InChIKeyUDNCGLSQUCZCFK-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.83
Rot. Bonds8

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

2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 124808324) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
PubChem CID124808324
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nc(CNCCc2ccccc2F)c(-c2ccccc2)n1
InChIInChI=1S/C20H23FN4/c1-2-14-25-23-19(20(24-25)17-9-4-3-5-10-17)15-22-13-12-16-8-6-7-11-18(16)21/h3-11,22H,2,12-15H2,1H3
InChIKeyUDNCGLSQUCZCFK-UHFFFAOYSA-N
XLogP3.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.83
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-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783157
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124804746
N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783299
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114903
4-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787438
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
2-(2,4-dichlorophenyl)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124895412
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]butan-1-amine
CID 124825154
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methylpropan-2-amine
CID 124825153
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124823879
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine (CID 124808324) is 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine is CCCn1nc(CNCCc2ccccc2F)c(-c2ccccc2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is UDNCGLSQUCZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-2-14-25-23-19(20(24-25)17-9-4-3-5-10-17)15-22-13-12-16-8-6-7-11-18(16)21/h3-11,22H,2,12-15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 338.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 124808324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).