5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline

C16H15FN2O — CID 64768625

IUPAC5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
SMILESCOc1ccc2c(ccn2Cc2ccc(F)cc2N)c1
InChIInChI=1S/C16H15FN2O/c1-20-14-4-5-16-11(8-14)6-7-19(16)10-12-2-3-13(17)9-15(12)18/h2-9H,10,18H2,1H3
InChIKeySXAYJRLFWDBQBW-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.42
Rot. Bonds3

About 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline

5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline (PubChem CID 64768625) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
PubChem CID64768625
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
SMILESCOc1ccc2c(ccn2Cc2ccc(F)cc2N)c1
InChIInChI=1S/C16H15FN2O/c1-20-14-4-5-16-11(8-14)6-7-19(16)10-12-2-3-13(17)9-15(12)18/h2-9H,10,18H2,1H3
InChIKeySXAYJRLFWDBQBW-UHFFFAOYSA-N
XLogP3.42
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(5-fluoroindol-1-yl)methyl]aniline
CID 114380593
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
5-fluoro-1-[(2-fluoro-3-methoxyphenyl)methyl]indole
CID 104794968
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
1-[(2-fluoro-4-methoxyphenyl)methyl]indole-5-carbaldehyde
CID 102910663
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline (CID 64768625) is 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline is COc1ccc2c(ccn2Cc2ccc(F)cc2N)c1.
What is the InChIKey of 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline?
The InChIKey is SXAYJRLFWDBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-14-4-5-16-11(8-14)6-7-19(16)10-12-2-3-13(17)9-15(12)18/h2-9H,10,18H2,1H3.
What are the key properties of 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline?
5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline has a molecular weight of 270.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline is sourced from PubChem (CID 64768625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).