2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol

C18H19FN2O — CID 134137742

IUPAC2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol
SMILESOc1ccccc1CNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H19FN2O/c19-15-7-8-17-16(10-15)13(12-21-17)5-3-9-20-11-14-4-1-2-6-18(14)22/h1-2,4,6-8,10,12,20-22H,3,5,9,11H2
InChIKeyRSDBWAIQPIVESS-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.73
Rot. Bonds6

About 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol

2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol (PubChem CID 134137742) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol
PubChem CID134137742
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol
SMILESOc1ccccc1CNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C18H19FN2O/c19-15-7-8-17-16(10-15)13(12-21-17)5-3-9-20-11-14-4-1-2-6-18(14)22/h1-2,4,6-8,10,12,20-22H,3,5,9,11H2
InChIKeyRSDBWAIQPIVESS-UHFFFAOYSA-N
XLogP3.73
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol 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 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol?
The IUPAC name of 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol (CID 134137742) is 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol.
What is the SMILES notation for 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol?
The canonical SMILES for 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol is Oc1ccccc1CNCCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol?
The InChIKey is RSDBWAIQPIVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-7-8-17-16(10-15)13(12-21-17)5-3-9-20-11-14-4-1-2-6-18(14)22/h1-2,4,6-8,10,12,20-22H,3,5,9,11H2.
What are the key properties of 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol?
2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol has a molecular weight of 298.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]phenol is sourced from PubChem (CID 134137742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).