1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine

C13H17FN2 — CID 22363310

IUPAC1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
SMILESCCc1cn(CC(C)N)c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-3-10-8-16(7-9(2)15)13-5-4-11(14)6-12(10)13/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyCWKAOQLVCMOQPM-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine

1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine (PubChem CID 22363310) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
PubChem CID22363310
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
SMILESCCc1cn(CC(C)N)c2ccc(F)cc12
InChIInChI=1S/C13H17FN2/c1-3-10-8-16(7-9(2)15)13-5-4-11(14)6-12(10)13/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyCWKAOQLVCMOQPM-UHFFFAOYSA-N
XLogP2.69
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
1-ethyl-5-fluoro-3-(propan-2-ylsulfonylmethyl)indole
CID 117175519
1-(4-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 18986295
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
(E)-but-2-enedioic acid;(2S)-1-(6-chloro-3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 67737696
2-amino-1-(1-ethyl-5-fluoroindol-3-yl)-3-hydroxypropan-1-one
CID 162765578
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
2-amino-3-(5-fluoro-1-prop-2-enylindol-3-yl)propanoic acid
CID 156798133
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
5-fluoro-1-(2-methylpentyl)indole-3-sulfonyl chloride
CID 82695785
1-[(2S)-2-azidopropyl]-5-fluoro-3-methylindole
CID 54338968

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The IUPAC name of 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine (CID 22363310) is 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine is CCc1cn(CC(C)N)c2ccc(F)cc12.
What is the InChIKey of 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
The InChIKey is CWKAOQLVCMOQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-10-8-16(7-9(2)15)13-5-4-11(14)6-12(10)13/h4-6,8-9H,3,7,15H2,1-2H3.
What are the key properties of 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine?
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine is sourced from PubChem (CID 22363310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).