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

C19H21FN2 — CID 67231342

IUPACN-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESCCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C19H21FN2/c1-2-22(14-15-6-4-3-5-7-15)11-10-16-13-21-19-9-8-17(20)12-18(16)19/h3-8,12-13H,2,9-11,14H2,1H3
InChIKeyOUNFMHVWBUHPGC-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.42
Rot. Bonds6

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

N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine (PubChem CID 67231342) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
PubChem CID67231342
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESCCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C19H21FN2/c1-2-22(14-15-6-4-3-5-7-15)11-10-16-13-21-19-9-8-17(20)12-18(16)19/h3-8,12-13H,2,9-11,14H2,1H3
InChIKeyOUNFMHVWBUHPGC-UHFFFAOYSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The IUPAC name of N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine (CID 67231342) is N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine is CCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The InChIKey is OUNFMHVWBUHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c1-2-22(14-15-6-4-3-5-7-15)11-10-16-13-21-19-9-8-17(20)12-18(16)19/h3-8,12-13H,2,9-11,14H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine has a molecular weight of 296.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(5-fluoro-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67231342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).