3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine

C15H21FN2 — CID 170867012

IUPAC3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCn1cc(CCCN(C)C)c2cc(F)ccc21
InChIInChI=1S/C15H21FN2/c1-4-18-11-12(6-5-9-17(2)3)14-10-13(16)7-8-15(14)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyAQFXXSOJKMJSNS-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.29
Rot. Bonds5

About 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine

3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170867012) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
PubChem CID170867012
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
SMILESCCn1cc(CCCN(C)C)c2cc(F)ccc21
InChIInChI=1S/C15H21FN2/c1-4-18-11-12(6-5-9-17(2)3)14-10-13(16)7-8-15(14)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyAQFXXSOJKMJSNS-UHFFFAOYSA-N
XLogP3.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine (CID 170867012) is 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine is CCn1cc(CCCN(C)C)c2cc(F)ccc21.
What is the InChIKey of 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is AQFXXSOJKMJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-4-18-11-12(6-5-9-17(2)3)14-10-13(16)7-8-15(14)18/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine?
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 248.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).