3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine

C20H23FN2 — CID 67232271

IUPAC3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine
SMILESNCCC(CCC1=CN=C2CC=C(F)C=C12)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/h1-5,8,13-14,16H,6-7,9-12,22H2
InChIKeyCAFZJFWIDOPFSV-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.50
Rot. Bonds7

About 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine

3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine (PubChem CID 67232271) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine
PubChem CID67232271
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine
SMILESNCCC(CCC1=CN=C2CC=C(F)C=C12)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/h1-5,8,13-14,16H,6-7,9-12,22H2
InChIKeyCAFZJFWIDOPFSV-UHFFFAOYSA-N
XLogP4.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine?
The IUPAC name of 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine (CID 67232271) is 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine?
The canonical SMILES for 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine is NCCC(CCC1=CN=C2CC=C(F)C=C12)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine?
The InChIKey is CAFZJFWIDOPFSV-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/h1-5,8,13-14,16H,6-7,9-12,22H2.
What are the key properties of 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine?
3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine has a molecular weight of 310.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(5-fluoro-7H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 67232271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).