2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine

C22H21FN2O2 — CID 156868508

IUPAC2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C22H21FN2O2/c1-25(2)10-11-26-21-14-17(27-16-6-4-3-5-7-16)13-19-18-12-15(23)8-9-20(18)24-22(19)21/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyIJUNJBARZPYKIO-UHFFFAOYSA-N
MW364.42 g/mol
LogP5.19
Rot. Bonds6

About 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine

2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine (PubChem CID 156868508) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine
PubChem CID156868508
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C22H21FN2O2/c1-25(2)10-11-26-21-14-17(27-16-6-4-3-5-7-16)13-19-18-12-15(23)8-9-20(18)24-22(19)21/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyIJUNJBARZPYKIO-UHFFFAOYSA-N
XLogP5.19
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine (CID 156868508) is 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(Oc2ccccc2)cc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine?
The InChIKey is IJUNJBARZPYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-25(2)10-11-26-21-14-17(27-16-6-4-3-5-7-16)13-19-18-12-15(23)8-9-20(18)24-22(19)21/h3-9,12-14,24H,10-11H2,1-2H3.
What are the key properties of 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine?
2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine has a molecular weight of 364.42 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3-phenoxy-9H-carbazol-1-yl)oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 156868508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).