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

C13H17FN2 — CID 117121586

IUPAC2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)cc2cc(F)ccc21
InChIInChI=1S/C13H17FN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyXJXYNDKCUPNIIP-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.86
Rot. Bonds3

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

2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine (PubChem CID 117121586) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine
PubChem CID117121586
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine
SMILESCCn1c(C(C)CN)cc2cc(F)ccc21
InChIInChI=1S/C13H17FN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3
InChIKeyXJXYNDKCUPNIIP-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-(5-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117121588
2-(6-chloro-1-ethylindol-2-yl)propan-1-amine
CID 117122802
2-(1-ethyl-5-methylindol-2-yl)propan-1-ol
CID 117121500
1-ethyl-5-fluoro-2-(propan-2-ylsulfonylmethyl)indole
CID 117177184
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568
2-(1-ethyl-5-fluoroindol-3-yl)propan-1-amine
CID 117121063
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
ethyl 5-fluoro-1-(2-methylpropyl)indole-2-carboxylate
CID 146348691
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine?
The IUPAC name of 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine (CID 117121586) is 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine?
The canonical SMILES for 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine is CCn1c(C(C)CN)cc2cc(F)ccc21.
What is the InChIKey of 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine?
The InChIKey is XJXYNDKCUPNIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-16-12-5-4-11(14)6-10(12)7-13(16)9(2)8-15/h4-7,9H,3,8,15H2,1-2H3.
What are the key properties of 2-(1-ethyl-5-fluoroindol-2-yl)propan-1-amine?
2-(1-ethyl-5-fluoroindol-2-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-5-fluoroindol-2-yl)propan-1-amine is sourced from PubChem (CID 117121586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).