N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol

C64H73F4N5O7 — CID 162023675

IUPACN-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol
SMILESCCn1cc(CCNCc2ccccc2)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(O)c(F)ccc21.CCn1cc(CCO)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(OCc3ccccc3)c(F)ccc21
InChIInChI=1S/C20H23FN2O.C19H20FNO2.C13H16FNO2.C12H14FNO2/c1-3-23-14-16(11-12-22-13-15-7-5-4-6-8-15)19-18(23)10-9-17(21)20(19)24-2;1-2-21-12-15(10-11-22)18-17(21)9-8-16(20)19(18)23-13-14-6-4-3-5-7-14;1-3-15-8-9(6-7-16)12-11(15)5-4-10(14)13(12)17-2;1-2-14-7-8(5-6-15)11-10(14)4-3-9(13)12(11)16/h4-10,14,22H,3,11-13H2,1-2H3;3-9,12,22H,2,10-11,13H2,1H3;4-5,8,16H,3,6-7H2,1-2H3;3-4,7,15-16H,2,5-6H2,1H3
InChIKeyYVBTZGUGUAOCFW-UHFFFAOYSA-N
MW1100.31 g/mol
LogP12.44
Rot. Bonds20

About N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol

N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol (PubChem CID 162023675) has the molecular formula C64H73F4N5O7 and a molecular weight of 1100.31 g/mol. Its IUPAC name is N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol.

Molecular Properties

Compound NameN-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol
PubChem CID162023675
Molecular FormulaC64H73F4N5O7
Molecular Weight1100.31 g/mol
Exact Mass1099.54
IUPAC NameN-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol
SMILESCCn1cc(CCNCc2ccccc2)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(O)c(F)ccc21.CCn1cc(CCO)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(OCc3ccccc3)c(F)ccc21
InChIInChI=1S/C20H23FN2O.C19H20FNO2.C13H16FNO2.C12H14FNO2/c1-3-23-14-16(11-12-22-13-15-7-5-4-6-8-15)19-18(23)10-9-17(21)20(19)24-2;1-2-21-12-15(10-11-22)18-17(21)9-8-16(20)19(18)23-13-14-6-4-3-5-7-14;1-3-15-8-9(6-7-16)12-11(15)5-4-10(14)13(12)17-2;1-2-14-7-8(5-6-15)11-10(14)4-3-9(13)12(11)16/h4-10,14,22H,3,11-13H2,1-2H3;3-9,12,22H,2,10-11,13H2,1H3;4-5,8,16H,3,6-7H2,1-2H3;3-4,7,15-16H,2,5-6H2,1H3
InChIKeyYVBTZGUGUAOCFW-UHFFFAOYSA-N
XLogP12.44
TPSA140.36 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.31
LogP ≤ 512.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
CID 50995818
2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 58303902
N-[2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)ethyl]-2-phenylethanamine
CID 58304017
ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
CID 123524906
N-[(3,4-dimethoxyphenyl)methyl]-2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethanamine
CID 58303903
methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
CID 58303910
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718670
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997397
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718456
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-(2-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17207157

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The IUPAC name of N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol (CID 162023675) is N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol.
What is the SMILES notation for N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The canonical SMILES for N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol is CCn1cc(CCNCc2ccccc2)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(O)c(F)ccc21.CCn1cc(CCO)c2c(OC)c(F)ccc21.CCn1cc(CCO)c2c(OCc3ccccc3)c(F)ccc21.
What is the InChIKey of N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
The InChIKey is YVBTZGUGUAOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.C19H20FNO2.C13H16FNO2.C12H14FNO2/c1-3-23-14-16(11-12-22-13-15-7-5-4-6-8-15)19-18(23)10-9-17(21)20(19)24-2;1-2-21-12-15(10-11-22)18-17(21)9-8-16(20)19(18)23-13-14-6-4-3-5-7-14;1-3-15-8-9(6-7-16)12-11(15)5-4-10(14)13(12)17-2;1-2-14-7-8(5-6-15)11-10(14)4-3-9(13)12(11)16/h4-10,14,22H,3,11-13H2,1-2H3;3-9,12,22H,2,10-11,13H2,1H3;4-5,8,16H,3,6-7H2,1-2H3;3-4,7,15-16H,2,5-6H2,1H3.
What are the key properties of N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol?
N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol has a molecular weight of 1100.31 g/mol, XLogP of 12.44, 20 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanamine;1-ethyl-5-fluoro-3-(2-hydroxyethyl)indol-4-ol;2-(1-ethyl-5-fluoro-4-methoxyindol-3-yl)ethanol;2-(1-ethyl-5-fluoro-4-phenylmethoxyindol-3-yl)ethanol is sourced from PubChem (CID 162023675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).