[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine

C17H17FN2 — CID 107878759

IUPAC[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCc1ccc2ccn(Cc3ccc(F)c(CN)c3)c2c1
InChIInChI=1S/C17H17FN2/c1-12-2-4-14-6-7-20(17(14)8-12)11-13-3-5-16(18)15(9-13)10-19/h2-9H,10-11,19H2,1H3
InChIKeyGBDIIFIQRYKCIH-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.60
Rot. Bonds3

About [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine

[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine (PubChem CID 107878759) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
PubChem CID107878759
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine
SMILESCc1ccc2ccn(Cc3ccc(F)c(CN)c3)c2c1
InChIInChI=1S/C17H17FN2/c1-12-2-4-14-6-7-20(17(14)8-12)11-13-3-5-16(18)15(9-13)10-19/h2-9H,10-11,19H2,1H3
InChIKeyGBDIIFIQRYKCIH-UHFFFAOYSA-N
XLogP3.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine (CID 107878759) is [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine is Cc1ccc2ccn(Cc3ccc(F)c(CN)c3)c2c1.
What is the InChIKey of [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is GBDIIFIQRYKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12-2-4-14-6-7-20(17(14)8-12)11-13-3-5-16(18)15(9-13)10-19/h2-9H,10-11,19H2,1H3.
What are the key properties of [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine?
[2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 268.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(6-methylindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107878759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).