2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine

C18H18ClFN2O — CID 10544602

IUPAC2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H18ClFN2O/c1-21(2)9-10-23-18-12-22(15-6-4-14(20)5-7-15)17-11-13(19)3-8-16(17)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyILXSTDBFYIRKOB-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.36
Rot. Bonds5

About 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine

2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 10544602) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID10544602
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
InChIInChI=1S/C18H18ClFN2O/c1-21(2)9-10-23-18-12-22(15-6-4-14(20)5-7-15)17-11-13(19)3-8-16(17)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyILXSTDBFYIRKOB-UHFFFAOYSA-N
XLogP4.36
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine
CID 10829244
2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691484
1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine;oxalic acid
CID 19065947
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-1-ynylamino]ethyl]imidazolidin-2-one;oxalic acid
CID 70278031
2-[2-(4-chlorophenoxy)-5-fluorophenoxy]-N,N-dimethylethanamine
CID 155988336
2-chloro-4-[2-(dimethylamino)ethoxy]-6-fluoroxanthen-9-one
CID 139462484
(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone
CID 142901021
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]acetic acid
CID 151859382
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propylurea
CID 67785262

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine (CID 10544602) is 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12.
What is the InChIKey of 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is ILXSTDBFYIRKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-21(2)9-10-23-18-12-22(15-6-4-14(20)5-7-15)17-11-13(19)3-8-16(17)18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine?
2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 332.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 10544602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).