4-fluoro-1-(2-methylpentyl)indole

C14H18FN — CID 82793876

IUPAC4-fluoro-1-(2-methylpentyl)indole
SMILESCCCC(C)Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H18FN/c1-3-5-11(2)10-16-9-8-12-13(15)6-4-7-14(12)16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeySDEZTGJZOVZJDM-UHFFFAOYSA-N
MW219.30 g/mol
LogP4.22
Rot. Bonds4

About 4-fluoro-1-(2-methylpentyl)indole

4-fluoro-1-(2-methylpentyl)indole (PubChem CID 82793876) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpentyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpentyl)indole
PubChem CID82793876
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name4-fluoro-1-(2-methylpentyl)indole
SMILESCCCC(C)Cn1ccc2c(F)cccc21
InChIInChI=1S/C14H18FN/c1-3-5-11(2)10-16-9-8-12-13(15)6-4-7-14(12)16/h4,6-9,11H,3,5,10H2,1-2H3
InChIKeySDEZTGJZOVZJDM-UHFFFAOYSA-N
XLogP4.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpentyl)indole?
The IUPAC name of 4-fluoro-1-(2-methylpentyl)indole (CID 82793876) is 4-fluoro-1-(2-methylpentyl)indole.
What is the SMILES notation for 4-fluoro-1-(2-methylpentyl)indole?
The canonical SMILES for 4-fluoro-1-(2-methylpentyl)indole is CCCC(C)Cn1ccc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(2-methylpentyl)indole?
The InChIKey is SDEZTGJZOVZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-3-5-11(2)10-16-9-8-12-13(15)6-4-7-14(12)16/h4,6-9,11H,3,5,10H2,1-2H3.
What are the key properties of 4-fluoro-1-(2-methylpentyl)indole?
4-fluoro-1-(2-methylpentyl)indole has a molecular weight of 219.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpentyl)indole is sourced from PubChem (CID 82793876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).