4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline

C17H17FN2O — CID 107236329

IUPAC4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCOc1cc(NCc2cn(C)c3ccccc23)ccc1F
InChIInChI=1S/C17H17FN2O/c1-20-11-12(14-5-3-4-6-16(14)20)10-19-13-7-8-15(18)17(9-13)21-2/h3-9,11,19H,10H2,1-2H3
InChIKeyITXCUWCKOQZTPR-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.94
Rot. Bonds4

About 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline

4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107236329) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107236329
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCOc1cc(NCc2cn(C)c3ccccc23)ccc1F
InChIInChI=1S/C17H17FN2O/c1-20-11-12(14-5-3-4-6-16(14)20)10-19-13-7-8-15(18)17(9-13)21-2/h3-9,11,19H,10H2,1-2H3
InChIKeyITXCUWCKOQZTPR-UHFFFAOYSA-N
XLogP3.94
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-N-[(1-methylindol-3-yl)methyl]aniline
CID 107363989
3-fluoro-5-methyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107235875
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
4-fluoro-N-(1H-indol-3-ylmethyl)-3-methoxyaniline
CID 114838759
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
N-[(2-bromo-3-fluorophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114839488
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
4-fluoro-3-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 114838877
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline (CID 107236329) is 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline is COc1cc(NCc2cn(C)c3ccccc23)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is ITXCUWCKOQZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20-11-12(14-5-3-4-6-16(14)20)10-19-13-7-8-15(18)17(9-13)21-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline?
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 284.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107236329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).