2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride

C14H20ClFN2O — CID 68787061

IUPAC2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1cc(F)cc2c1c(CCN(C)C)cn2C.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16(2)6-5-10-9-17(3)12-7-11(15)8-13(18-4)14(10)12;/h7-9H,5-6H2,1-4H3;1H
InChIKeyQGAYQSPNAXXTJQ-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.85
Rot. Bonds4

About 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride

2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 68787061) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride
PubChem CID68787061
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCOc1cc(F)cc2c1c(CCN(C)C)cn2C.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-16(2)6-5-10-9-17(3)12-7-11(15)8-13(18-4)14(10)12;/h7-9H,5-6H2,1-4H3;1H
InChIKeyQGAYQSPNAXXTJQ-UHFFFAOYSA-N
XLogP2.85
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride (CID 68787061) is 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride is COc1cc(F)cc2c1c(CCN(C)C)cn2C.Cl.
What is the InChIKey of 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is QGAYQSPNAXXTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-16(2)6-5-10-9-17(3)12-7-11(15)8-13(18-4)14(10)12;/h7-9H,5-6H2,1-4H3;1H.
What are the key properties of 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride?
2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 68787061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).