3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine

C21H25FN4O — CID 124826120

IUPAC3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
SMILESCCOCCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C21H25FN4O/c1-2-27-14-6-13-23-15-20-21(18-7-4-3-5-8-18)25-26(24-20)16-17-9-11-19(22)12-10-17/h3-5,7-12,23H,2,6,13-16H2,1H3
InChIKeyHCKCFCTZMLJYKA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.65
Rot. Bonds10

About 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine

3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine (PubChem CID 124826120) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
PubChem CID124826120
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
SMILESCCOCCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C21H25FN4O/c1-2-27-14-6-13-23-15-20-21(18-7-4-3-5-8-18)25-26(24-20)16-17-9-11-19(22)12-10-17/h3-5,7-12,23H,2,6,13-16H2,1H3
InChIKeyHCKCFCTZMLJYKA-UHFFFAOYSA-N
XLogP3.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-ethoxypropan-1-amine
CID 124826738
N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 125114251
3-butoxy-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124822323
2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124817694
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-methoxypropan-1-amine
CID 124797378
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]butan-1-amine
CID 124825154
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124826431
N',N'-dibutyl-N-[[2-[(2-chloro-4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propane-1,3-diamine
CID 125114495
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132910686
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine (CID 124826120) is 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine is CCOCCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine?
The InChIKey is HCKCFCTZMLJYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-2-27-14-6-13-23-15-20-21(18-7-4-3-5-8-18)25-26(24-20)16-17-9-11-19(22)12-10-17/h3-5,7-12,23H,2,6,13-16H2,1H3.
What are the key properties of 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine?
3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine has a molecular weight of 368.46 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 124826120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).