1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine

C12H15FN2 — CID 84620713

IUPAC1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14-15H,3,7H2,1-2H3
InChIKeyRDERPSUYQWSHJM-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine

1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine (PubChem CID 84620713) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
PubChem CID84620713
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)[nH]c2ccc(F)cc12
InChIInChI=1S/C12H15FN2/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14-15H,3,7H2,1-2H3
InChIKeyRDERPSUYQWSHJM-UHFFFAOYSA-N
XLogP2.59
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine (CID 84620713) is 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine is CCc1c(CNC)[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
The InChIKey is RDERPSUYQWSHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14-15H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine?
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84620713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).