N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine

C20H23FN2 — CID 67232270

IUPACN-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C20H23FN2/c1-2-11-23(15-16-6-4-3-5-7-16)12-10-17-14-22-20-9-8-18(21)13-19(17)20/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyHGUNJGYUGSWVRJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.81
Rot. Bonds7

About N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine

N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 67232270) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine
PubChem CID67232270
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC NameN-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1
InChIInChI=1S/C20H23FN2/c1-2-11-23(15-16-6-4-3-5-7-16)12-10-17-14-22-20-9-8-18(21)13-19(17)20/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyHGUNJGYUGSWVRJ-UHFFFAOYSA-N
XLogP4.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine (CID 67232270) is N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine is CCCN(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is HGUNJGYUGSWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c1-2-11-23(15-16-6-4-3-5-7-16)12-10-17-14-22-20-9-8-18(21)13-19(17)20/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine?
N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 310.42 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 67232270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).