2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline

C16H15FN2O — CID 175932414

IUPAC2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline
SMILESCOc1cccc(F)c1NCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H15FN2O/c1-20-15-8-4-6-13(17)16(15)18-10-12-9-11-5-2-3-7-14(11)19-12/h2-9,18-19H,10H2,1H3
InChIKeyXVZICXPIZLUEKT-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline

2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline (PubChem CID 175932414) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline.

Molecular Properties

Compound Name2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline
PubChem CID175932414
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline
SMILESCOc1cccc(F)c1NCc1cc2ccccc2[nH]1
InChIInChI=1S/C16H15FN2O/c1-20-15-8-4-6-13(17)16(15)18-10-12-9-11-5-2-3-7-14(11)19-12/h2-9,18-19H,10H2,1H3
InChIKeyXVZICXPIZLUEKT-UHFFFAOYSA-N
XLogP3.93
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline 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-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline?
The IUPAC name of 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline (CID 175932414) is 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline.
What is the SMILES notation for 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline?
The canonical SMILES for 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline is COc1cccc(F)c1NCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline?
The InChIKey is XVZICXPIZLUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-15-8-4-6-13(17)16(15)18-10-12-9-11-5-2-3-7-14(11)19-12/h2-9,18-19H,10H2,1H3.
What are the key properties of 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline?
2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline has a molecular weight of 270.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-indol-2-ylmethyl)-6-methoxyaniline is sourced from PubChem (CID 175932414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).