N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine

C14H19FN2O — CID 166157921

IUPACN-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine
SMILESCCN(C)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C14H19FN2O/c1-4-17(2)6-5-10-9-16-14-12(10)7-11(18-3)8-13(14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyIKYKXFMGTKYLAU-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine

N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine (PubChem CID 166157921) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine
PubChem CID166157921
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine
SMILESCCN(C)CCc1c[nH]c2c(F)cc(OC)cc12
InChIInChI=1S/C14H19FN2O/c1-4-17(2)6-5-10-9-16-14-12(10)7-11(18-3)8-13(14)15/h7-9,16H,4-6H2,1-3H3
InChIKeyIKYKXFMGTKYLAU-UHFFFAOYSA-N
XLogP2.81
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine (CID 166157921) is N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine is CCN(C)CCc1c[nH]c2c(F)cc(OC)cc12.
What is the InChIKey of N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is IKYKXFMGTKYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-17(2)6-5-10-9-16-14-12(10)7-11(18-3)8-13(14)15/h7-9,16H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine?
N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 250.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 166157921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).