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

C13H17FN2 — CID 57147957

IUPAC3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
SMILESCCC(CCN)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-2-9(5-6-15)12-8-16-13-4-3-10(14)7-11(12)13/h3-4,7-9,16H,2,5-6,15H2,1H3
InChIKeyFCTSTKSGEOIJMG-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.15
Rot. Bonds4

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

3-(5-fluoro-1H-indol-3-yl)pentan-1-amine (PubChem CID 57147957) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
PubChem CID57147957
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
SMILESCCC(CCN)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-2-9(5-6-15)12-8-16-13-4-3-10(14)7-11(12)13/h3-4,7-9,16H,2,5-6,15H2,1H3
InChIKeyFCTSTKSGEOIJMG-UHFFFAOYSA-N
XLogP3.15
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine (CID 57147957) is 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine is CCC(CCN)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
The InChIKey is FCTSTKSGEOIJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-2-9(5-6-15)12-8-16-13-4-3-10(14)7-11(12)13/h3-4,7-9,16H,2,5-6,15H2,1H3.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine?
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 57147957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).