2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine

C18H18ClFN2 — CID 10734233

IUPAC2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClFN2/c1-21(2)10-9-13-12-22(16-6-4-15(20)5-7-16)18-8-3-14(19)11-17(13)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyWZXHSSNOEBHYEF-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.53
Rot. Bonds4

About 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine

2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine (PubChem CID 10734233) has the molecular formula C18H18ClFN2 and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine
PubChem CID10734233
Molecular FormulaC18H18ClFN2
Molecular Weight316.81 g/mol
Exact Mass316.11
IUPAC Name2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C18H18ClFN2/c1-21(2)10-9-13-12-22(16-6-4-15(20)5-7-16)18-8-3-14(19)11-17(13)18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyWZXHSSNOEBHYEF-UHFFFAOYSA-N
XLogP4.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine (CID 10734233) is 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is WZXHSSNOEBHYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2/c1-21(2)10-9-13-12-22(16-6-4-15(20)5-7-16)18-8-3-14(19)11-17(13)18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine?
2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 316.81 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10734233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).