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

C18H19FN2 — CID 54378350

IUPAC2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H19FN2/c1-21(2)10-9-15-12-20-18-8-5-14(11-17(15)18)13-3-6-16(19)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyUYDWEJFCGPJGMI-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.08
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 54378350) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID54378350
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C18H19FN2/c1-21(2)10-9-15-12-20-18-8-5-14(11-17(15)18)13-3-6-16(19)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3
InChIKeyUYDWEJFCGPJGMI-UHFFFAOYSA-N
XLogP4.08
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[2-(5-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001087
5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1H-imidazol-2-amine
CID 151022593
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578423
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
2-(5H-furo[2,3-f]indol-7-yl)-N,N-dimethylethanamine
CID 168946902

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine (CID 54378350) is 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is UYDWEJFCGPJGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-21(2)10-9-15-12-20-18-8-5-14(11-17(15)18)13-3-6-16(19)7-4-13/h3-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 282.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 54378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).