2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C13H17FN2O — CID 10082834

IUPAC2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2[nH]cc(CCN(C)C)c2c1F
InChIInChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCTEKFOKTEGQYLO-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 10082834) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID10082834
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2[nH]cc(CCN(C)C)c2c1F
InChIInChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCTEKFOKTEGQYLO-UHFFFAOYSA-N
XLogP2.42
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 10082834) is 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is COc1ccc2[nH]cc(CCN(C)C)c2c1F.
What is the InChIKey of 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is CTEKFOKTEGQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 236.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10082834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).