4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline

C16H15FN2O — CID 114838759

IUPAC4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(NCc2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H15FN2O/c1-20-16-8-12(6-7-14(16)17)18-9-11-10-19-15-5-3-2-4-13(11)15/h2-8,10,18-19H,9H2,1H3
InChIKeyRBCBNYGBVDNZMP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.93
Rot. Bonds4

About 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline

4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline (PubChem CID 114838759) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
PubChem CID114838759
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
SMILESCOc1cc(NCc2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H15FN2O/c1-20-16-8-12(6-7-14(16)17)18-9-11-10-19-15-5-3-2-4-13(11)15/h2-8,10,18-19H,9H2,1H3
InChIKeyRBCBNYGBVDNZMP-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 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline 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

3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-3-ylmethyl)aniline
CID 71764616
N-[(2-bromo-3-fluorophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114839488
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
4-fluoro-3-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 114838877
N-(1H-indol-3-ylmethyl)-4-propoxyaniline
CID 62327281
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline?
The IUPAC name of 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline (CID 114838759) is 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline.
What is the SMILES notation for 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline?
The canonical SMILES for 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline is COc1cc(NCc2c[nH]c3ccccc23)ccc1F.
What is the InChIKey of 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline?
The InChIKey is RBCBNYGBVDNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-16-8-12(6-7-14(16)17)18-9-11-10-19-15-5-3-2-4-13(11)15/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline?
4-fluoro-N-(1H-indol-3-ylmethyl)-3-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 4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline is sourced from PubChem (CID 114838759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).