bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride

C25H25ClF2N2O — CID 44661042

IUPACbis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
SMILESCOc1ccc2[nH]cc(CC[NH+](Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1.[Cl-]
InChIInChI=1S/C25H24F2N2O.ClH/c1-30-23-10-11-25-24(14-23)20(15-28-25)12-13-29(16-18-2-6-21(26)7-3-18)17-19-4-8-22(27)9-5-19;/h2-11,14-15,28H,12-13,16-17H2,1H3;1H
InChIKeyRLSBGNPNUUBZST-UHFFFAOYSA-N
MW442.94 g/mol
LogP1.29
Rot. Bonds8

About bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride

bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride (PubChem CID 44661042) has the molecular formula C25H25ClF2N2O and a molecular weight of 442.94 g/mol. Its IUPAC name is bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namebis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
PubChem CID44661042
Molecular FormulaC25H25ClF2N2O
Molecular Weight442.94 g/mol
Exact Mass442.16
IUPAC Namebis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride
SMILESCOc1ccc2[nH]cc(CC[NH+](Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1.[Cl-]
InChIInChI=1S/C25H24F2N2O.ClH/c1-30-23-10-11-25-24(14-23)20(15-28-25)12-13-29(16-18-2-6-21(26)7-3-18)17-19-4-8-22(27)9-5-19;/h2-11,14-15,28H,12-13,16-17H2,1H3;1H
InChIKeyRLSBGNPNUUBZST-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
CID 86307010
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-(2-ethoxyethyl)-5-methoxy-1H-indole
CID 167475271
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
2,2,2-trifluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)ethanamine
CID 172624963
4-methoxy-N-[(5-methoxy-1H-indol-3-yl)methyl]aniline
CID 20509727

Frequently Asked Questions

What is the IUPAC name of bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The IUPAC name of bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride (CID 44661042) is bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride.
What is the SMILES notation for bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The canonical SMILES for bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride is COc1ccc2[nH]cc(CC[NH+](Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1.[Cl-].
What is the InChIKey of bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
The InChIKey is RLSBGNPNUUBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O.ClH/c1-30-23-10-11-25-24(14-23)20(15-28-25)12-13-29(16-18-2-6-21(26)7-3-18)17-19-4-8-22(27)9-5-19;/h2-11,14-15,28H,12-13,16-17H2,1H3;1H.
What are the key properties of bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride?
bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride has a molecular weight of 442.94 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluorophenyl)methyl]-[2-(5-methoxy-1H-indol-3-yl)ethyl]azanium chloride is sourced from PubChem (CID 44661042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).