(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine

C17H23FN2 — CID 171764220

IUPAC(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
SMILESC[C@@H](CC1CCC1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H23FN2/c1-12(9-13-3-2-4-13)19-8-7-14-11-20-17-10-15(18)5-6-16(14)17/h5-6,10-13,19-20H,2-4,7-9H2,1H3/t12-/m0/s1
InChIKeyFDRUGDFPWMGLIS-LBPRGKRZSA-N
MW274.38 g/mol
LogP4.02
Rot. Bonds6

About (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine

(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 171764220) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID171764220
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
SMILESC[C@@H](CC1CCC1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H23FN2/c1-12(9-13-3-2-4-13)19-8-7-14-11-20-17-10-15(18)5-6-16(14)17/h5-6,10-13,19-20H,2-4,7-9H2,1H3/t12-/m0/s1
InChIKeyFDRUGDFPWMGLIS-LBPRGKRZSA-N
XLogP4.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 115704314
3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
CID 167932224
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-(2,2-dicyclopropylethyl)-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111691028
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
2-cyclopentyl-N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111888905
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 86880894
(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992203
(1R)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 97231176
N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 84587801

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine (CID 171764220) is (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine is C[C@@H](CC1CCC1)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is FDRUGDFPWMGLIS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23FN2/c1-12(9-13-3-2-4-13)19-8-7-14-11-20-17-10-15(18)5-6-16(14)17/h5-6,10-13,19-20H,2-4,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine?
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 274.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 171764220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).