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

C12H15FN2 — CID 131338781

IUPAC1-(5-fluoro-1H-indol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H15FN2/c1-2-10(14)7-11-6-8-5-9(13)3-4-12(8)15-11/h3-6,10,15H,2,7,14H2,1H3
InChIKeyHVFDIOFOEPQVKC-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.59
Rot. Bonds3

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

1-(5-fluoro-1H-indol-2-yl)butan-2-amine (PubChem CID 131338781) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-2-yl)butan-2-amine
PubChem CID131338781
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(5-fluoro-1H-indol-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H15FN2/c1-2-10(14)7-11-6-8-5-9(13)3-4-12(8)15-11/h3-6,10,15H,2,7,14H2,1H3
InChIKeyHVFDIOFOEPQVKC-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-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
5-fluoro-2-pentyl-1H-indole;3,3,3-trifluoroprop-1-ene
CID 159912969
1-(7-methyl-1H-indol-2-yl)butan-2-amine
CID 131625408
2-but-1-ynyl-4-fluoroaniline;2-ethyl-5-fluoro-1H-indole
CID 158995985
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-2-yl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-1H-indol-2-yl)butan-2-amine (CID 131338781) is 1-(5-fluoro-1H-indol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1H-indol-2-yl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-1H-indol-2-yl)butan-2-amine is CCC(N)Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 1-(5-fluoro-1H-indol-2-yl)butan-2-amine?
The InChIKey is HVFDIOFOEPQVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-2-10(14)7-11-6-8-5-9(13)3-4-12(8)15-11/h3-6,10,15H,2,7,14H2,1H3.
What are the key properties of 1-(5-fluoro-1H-indol-2-yl)butan-2-amine?
1-(5-fluoro-1H-indol-2-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-2-yl)butan-2-amine is sourced from PubChem (CID 131338781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).