1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine

C15H19FN2 — CID 117368389

IUPAC1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine
SMILESCc1cn(C)c2c(F)cc(C3(C(C)N)CC3)cc12
InChIInChI=1S/C15H19FN2/c1-9-8-18(3)14-12(9)6-11(7-13(14)16)15(4-5-15)10(2)17/h6-8,10H,4-5,17H2,1-3H3
InChIKeyHPYHCLXRCPKFKQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.00
Rot. Bonds2

About 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine

1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine (PubChem CID 117368389) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine
PubChem CID117368389
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine
SMILESCc1cn(C)c2c(F)cc(C3(C(C)N)CC3)cc12
InChIInChI=1S/C15H19FN2/c1-9-8-18(3)14-12(9)6-11(7-13(14)16)15(4-5-15)10(2)17/h6-8,10H,4-5,17H2,1-3H3
InChIKeyHPYHCLXRCPKFKQ-UHFFFAOYSA-N
XLogP3.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine (CID 117368389) is 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine is Cc1cn(C)c2c(F)cc(C3(C(C)N)CC3)cc12.
What is the InChIKey of 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine?
The InChIKey is HPYHCLXRCPKFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-9-8-18(3)14-12(9)6-11(7-13(14)16)15(4-5-15)10(2)17/h6-8,10H,4-5,17H2,1-3H3.
What are the key properties of 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine?
1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine has a molecular weight of 246.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117368389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).