2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine

C15H21FN4O — CID 107053423

IUPAC2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1cn(C)nn1)c1cccc(F)c1
InChIInChI=1S/C15H21FN4O/c1-20-11-15(18-19-20)9-13(10-17-6-7-21-2)12-4-3-5-14(16)8-12/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3
InChIKeyJUUZTPKIDMNQES-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.52
Rot. Bonds8

About 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine

2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107053423) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107053423
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCOCCNCC(Cc1cn(C)nn1)c1cccc(F)c1
InChIInChI=1S/C15H21FN4O/c1-20-11-15(18-19-20)9-13(10-17-6-7-21-2)12-4-3-5-14(16)8-12/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3
InChIKeyJUUZTPKIDMNQES-UHFFFAOYSA-N
XLogP1.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)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-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
2-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053400
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
2-(4-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107053398
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
4-(1-methyltriazol-4-yl)-2-phenyl-N-propylbutan-1-amine
CID 107059234
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698
2-(2-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053484

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107053423) is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine is COCCNCC(Cc1cn(C)nn1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is JUUZTPKIDMNQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-20-11-15(18-19-20)9-13(10-17-6-7-21-2)12-4-3-5-14(16)8-12/h3-5,8,11,13,17H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine?
2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 292.36 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107053423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).