N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine

C17H24FN3O — CID 139324765

IUPACN-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCn2cc(C)cn2)cc1F
InChIInChI=1S/C17H24FN3O/c1-3-6-19-11-16-5-4-15(9-17(16)18)13-22-8-7-21-12-14(2)10-20-21/h4-5,9-10,12,19H,3,6-8,11,13H2,1-2H3
InChIKeyXSSVOQDLIGHOHY-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.05
Rot. Bonds9

About N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine

N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 139324765) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine
PubChem CID139324765
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCn2cc(C)cn2)cc1F
InChIInChI=1S/C17H24FN3O/c1-3-6-19-11-16-5-4-15(9-17(16)18)13-22-8-7-21-12-14(2)10-20-21/h4-5,9-10,12,19H,3,6-8,11,13H2,1-2H3
InChIKeyXSSVOQDLIGHOHY-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine (CID 139324765) is N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(COCCn2cc(C)cn2)cc1F.
What is the InChIKey of N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is XSSVOQDLIGHOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-3-6-19-11-16-5-4-15(9-17(16)18)13-22-8-7-21-12-14(2)10-20-21/h4-5,9-10,12,19H,3,6-8,11,13H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine?
N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 305.40 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[2-(4-methylpyrazol-1-yl)ethoxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 139324765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).