2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine

C21H24ClFN2O — CID 50997041

IUPAC2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2c(OCc3ccc(Cl)cc3)cc(F)cc21
InChIInChI=1S/C21H24ClFN2O/c1-4-25-13-16(9-10-24(2)3)21-19(25)11-18(23)12-20(21)26-14-15-5-7-17(22)8-6-15/h5-8,11-13H,4,9-10,14H2,1-3H3
InChIKeyGZRXXGORVXSIKO-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.14
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine

2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine (PubChem CID 50997041) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine
PubChem CID50997041
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2c(OCc3ccc(Cl)cc3)cc(F)cc21
InChIInChI=1S/C21H24ClFN2O/c1-4-25-13-16(9-10-24(2)3)21-19(25)11-18(23)12-20(21)26-14-15-5-7-17(22)8-6-15/h5-8,11-13H,4,9-10,14H2,1-3H3
InChIKeyGZRXXGORVXSIKO-UHFFFAOYSA-N
XLogP5.14
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl){3-[(1-methyl-1H-indol-4-yl)oxy]propyl}amine
CID 11273187
[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid
CID 25147499
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-4-yloxy)propyl]amine
CID 25190757
Hamaline
CID 145927371
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
4-{2-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-ethoxy}-1H-indole
CID 10295207
4-{3-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-propoxy}-1H-indole
CID 10296101
O-Benzyl Psilocin
CID 13566983
1-Benzyl-7-chloro-4-hexoxyquinolin-1-ium bromide
CID 10433084
{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl){3-[(1-methanesulfonyl-1H-indol-4-yl)oxy]propyl}amine
CID 11377209
N-(3-(1H-indol-4-yloxy)propyl)cyclohexanamine
CID 44433247
N-(4-chlorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 5200316

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine (CID 50997041) is 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine is CCn1cc(CCN(C)C)c2c(OCc3ccc(Cl)cc3)cc(F)cc21.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is GZRXXGORVXSIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-4-25-13-16(9-10-24(2)3)21-19(25)11-18(23)12-20(21)26-14-15-5-7-17(22)8-6-15/h5-8,11-13H,4,9-10,14H2,1-3H3.
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine?
2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 374.89 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]-1-ethyl-6-fluoroindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 50997041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).