N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine

C18H19FN2 — CID 67231171

IUPACN-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
SMILESCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C18H19FN2/c1-21(13-14-5-3-2-4-6-14)10-9-15-12-20-18-8-7-16(19)11-17(15)18/h2-7,11-12H,8-10,13H2,1H3
InChIKeyDRIQVFGZCPYOTE-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.03
Rot. Bonds5

About N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine

N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine (PubChem CID 67231171) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
PubChem CID67231171
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC NameN-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
SMILESCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C18H19FN2/c1-21(13-14-5-3-2-4-6-14)10-9-15-12-20-18-8-7-16(19)11-17(15)18/h2-7,11-12H,8-10,13H2,1H3
InChIKeyDRIQVFGZCPYOTE-UHFFFAOYSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The IUPAC name of N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine (CID 67231171) is N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine is CN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The InChIKey is DRIQVFGZCPYOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-21(13-14-5-3-2-4-6-14)10-9-15-12-20-18-8-7-16(19)11-17(15)18/h2-7,11-12H,8-10,13H2,1H3.
What are the key properties of N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine has a molecular weight of 282.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 67231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).