3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol

C19H21FN2O — CID 50995818

IUPAC3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(CCNCc2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C19H21FN2O/c1-2-22-13-15(19-17(22)10-16(20)11-18(19)23)8-9-21-12-14-6-4-3-5-7-14/h3-7,10-11,13,21,23H,2,8-9,12H2,1H3
InChIKeyQISLFXOSTJWLIC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.84
Rot. Bonds6

About 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol

3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol (PubChem CID 50995818) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol.

Molecular Properties

Compound Name3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
PubChem CID50995818
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol
SMILESCCn1cc(CCNCc2ccccc2)c2c(O)cc(F)cc21
InChIInChI=1S/C19H21FN2O/c1-2-22-13-15(19-17(22)10-16(20)11-18(19)23)8-9-21-12-14-6-4-3-5-7-14/h3-7,10-11,13,21,23H,2,8-9,12H2,1H3
InChIKeyQISLFXOSTJWLIC-UHFFFAOYSA-N
XLogP3.84
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
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
methyl 2-(1-ethyl-6-fluoro-4-phenylmethoxyindol-3-yl)acetate
CID 58303910
2-(1-ethyl-6-fluoro-4-methoxyindol-3-yl)ethanol
CID 66927082
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
2-(3,5-difluorophenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66415967
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The IUPAC name of 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol (CID 50995818) is 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol.
What is the SMILES notation for 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The canonical SMILES for 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol is CCn1cc(CCNCc2ccccc2)c2c(O)cc(F)cc21.
What is the InChIKey of 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
The InChIKey is QISLFXOSTJWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-2-22-13-15(19-17(22)10-16(20)11-18(19)23)8-9-21-12-14-6-4-3-5-7-14/h3-7,10-11,13,21,23H,2,8-9,12H2,1H3.
What are the key properties of 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol?
3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol has a molecular weight of 312.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzylamino)ethyl]-1-ethyl-6-fluoroindol-4-ol is sourced from PubChem (CID 50995818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).