2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine

C13H17FN2 — CID 117119694

IUPAC2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
SMILESCCn1cc(C(C)CN)c2c(F)cccc21
InChIInChI=1S/C13H17FN2/c1-3-16-8-10(9(2)7-15)13-11(14)5-4-6-12(13)16/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyVALUMSZKKZBMAX-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine

2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine (PubChem CID 117119694) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
PubChem CID117119694
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
SMILESCCn1cc(C(C)CN)c2c(F)cccc21
InChIInChI=1S/C13H17FN2/c1-3-16-8-10(9(2)7-15)13-11(14)5-4-6-12(13)16/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyVALUMSZKKZBMAX-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
(4-fluoro-1-propan-2-ylindol-3-yl)methanamine
CID 117119687
2-(5-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117121064
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
1-(4-fluoro-1-methylindol-3-yl)ethanol
CID 117119627
4-fluoro-3-(methoxymethyl)-1-propan-2-ylindole
CID 117172053
2-amino-2-(4-bromo-1-ethylindol-3-yl)acetic acid
CID 115073371
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
2-(2-fluoro-6-methylphenyl)propan-1-amine
CID 84765270

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine?
The IUPAC name of 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine (CID 117119694) is 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine is CCn1cc(C(C)CN)c2c(F)cccc21.
What is the InChIKey of 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine?
The InChIKey is VALUMSZKKZBMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-16-8-10(9(2)7-15)13-11(14)5-4-6-12(13)16/h4-6,8-9H,3,7,15H2,1-2H3.
What are the key properties of 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine?
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine is sourced from PubChem (CID 117119694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).