[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium

C23H24F2NO+ — CID 7707372

IUPAC[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium
SMILESCOc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3/p+1/t22-/m0/s1
InChIKeyKQVIYHJSXGPHKZ-QFIPXVFZSA-O
MW368.45 g/mol
LogP4.26
Rot. Bonds8

About [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium

[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium (PubChem CID 7707372) has the molecular formula C23H24F2NO+ and a molecular weight of 368.45 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium
PubChem CID7707372
Molecular FormulaC23H24F2NO+
Molecular Weight368.45 g/mol
Exact Mass368.18
IUPAC Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium
SMILESCOc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3/p+1/t22-/m0/s1
InChIKeyKQVIYHJSXGPHKZ-QFIPXVFZSA-O
XLogP4.26
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
[(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
[(2S)-3-[bis(4-methoxyphenyl)methoxy]-2-hydroxypropyl]-[(2-fluorophenyl)methyl]azanium
CID 2127391
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
2-[(2-fluorophenyl)methoxy]-1-(4-methoxyphenyl)ethanamine
CID 63932424
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium
CID 7707305
[4-(dimethylamino)phenyl]methyl-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium
CID 2045301
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61373072
N-[1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 4298289

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium (CID 7707372) is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium is COc1ccc([C@@H](CC[NH2+]Cc2ccccc2F)c2ccc(F)cc2)cc1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium?
The InChIKey is KQVIYHJSXGPHKZ-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H23F2NO/c1-27-21-12-8-18(9-13-21)22(17-6-10-20(24)11-7-17)14-15-26-16-19-4-2-3-5-23(19)25/h2-13,22,26H,14-16H2,1H3/p+1/t22-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium?
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium has a molecular weight of 368.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7707372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).