[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium

C24H27FNO2+ — CID 7714694

IUPAC[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26FNO2/c1-27-22-11-3-18(4-12-22)17-26-16-15-24(19-5-9-21(25)10-6-19)20-7-13-23(28-2)14-8-20/h3-14,24,26H,15-17H2,1-2H3/p+1/t24-/m0/s1
InChIKeyVKNDOFXTCCPRML-DEOSSOPVSA-O
MW380.48 g/mol
LogP4.13
Rot. Bonds9

About [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium

[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 7714694) has the molecular formula C24H27FNO2+ and a molecular weight of 380.48 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID7714694
Molecular FormulaC24H27FNO2+
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H26FNO2/c1-27-22-11-3-18(4-12-22)17-26-16-15-24(19-5-9-21(25)10-6-19)20-7-13-23(28-2)14-8-20/h3-14,24,26H,15-17H2,1-2H3/p+1/t24-/m0/s1
InChIKeyVKNDOFXTCCPRML-DEOSSOPVSA-O
XLogP4.13
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium
CID 7707372
[4-(dimethylamino)phenyl]methyl-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium
CID 2045301
[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium
CID 2045527
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
1-[4,4-bis(4-fluorophenyl)butyl]-4-(4-methoxyphenoxy)pyridin-1-ium
CID 22752907
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]-[(4-methoxyphenyl)methyl]azanium
CID 7036971
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium (CID 7714694) is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]CC[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is VKNDOFXTCCPRML-DEOSSOPVSA-O. The full InChI is InChI=1S/C24H26FNO2/c1-27-22-11-3-18(4-12-22)17-26-16-15-24(19-5-9-21(25)10-6-19)20-7-13-23(28-2)14-8-20/h3-14,24,26H,15-17H2,1-2H3/p+1/t24-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium?
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 380.48 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7714694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).