1-(5-fluoro-1H-indol-3-yl)butan-2-amine

C12H15FN2 — CID 118713118

IUPAC1-(5-fluoro-1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
InChIKeyQGUZSMSUGSSPNJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-fluoro-1H-indol-3-yl)butan-2-amine

1-(5-fluoro-1H-indol-3-yl)butan-2-amine (PubChem CID 118713118) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)butan-2-amine
PubChem CID118713118
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(5-fluoro-1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3
InChIKeyQGUZSMSUGSSPNJ-UHFFFAOYSA-N
XLogP2.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
CID 58748813
CID 58748813
1-(1H-indol-3-yl)butan-2-amine
CID 8367
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)butan-2-amine (CID 118713118) is 1-(5-fluoro-1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)butan-2-amine is CCC(N)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)butan-2-amine?
The InChIKey is QGUZSMSUGSSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-4-3-9(13)6-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3.
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)butan-2-amine?
1-(5-fluoro-1H-indol-3-yl)butan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 118713118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).