3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine

C20H23FN2 — CID 67394553

IUPAC3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
SMILESNCCC(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1
InChIInChI=1S/C20H23FN2/c21-18-8-9-20-19(13-18)17(14-23-20)7-6-16(10-11-22)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16,23H,6-7,10-12,22H2
InChIKeyGCYXQIGUHXPYIF-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.45
Rot. Bonds7

About 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine

3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine (PubChem CID 67394553) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
PubChem CID67394553
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
SMILESNCCC(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1
InChIInChI=1S/C20H23FN2/c21-18-8-9-20-19(13-18)17(14-23-20)7-6-16(10-11-22)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16,23H,6-7,10-12,22H2
InChIKeyGCYXQIGUHXPYIF-UHFFFAOYSA-N
XLogP4.45
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine (CID 67394553) is 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine is NCCC(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The InChIKey is GCYXQIGUHXPYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2/c21-18-8-9-20-19(13-18)17(14-23-20)7-6-16(10-11-22)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16,23H,6-7,10-12,22H2.
What are the key properties of 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine has a molecular weight of 310.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 67394553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).