[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium

C23H27FNO2+ — CID 7707305

IUPAC[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium
SMILESCC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FNO2/c1-17(2)27-21-11-7-19(8-12-21)23(18-5-9-20(24)10-6-18)13-14-25-16-22-4-3-15-26-22/h3-12,15,17,23,25H,13-14,16H2,1-2H3/p+1/t23-/m0/s1
InChIKeyLCVKZCNJUUSFRD-QHCPKHFHSA-O
MW368.47 g/mol
LogP4.49
Rot. Bonds9

About [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium

[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium (PubChem CID 7707305) has the molecular formula C23H27FNO2+ and a molecular weight of 368.47 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium
PubChem CID7707305
Molecular FormulaC23H27FNO2+
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium
SMILESCC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H26FNO2/c1-17(2)27-21-11-7-19(8-12-21)23(18-5-9-20(24)10-6-18)13-14-25-16-22-4-3-15-26-22/h3-12,15,17,23,25H,13-14,16H2,1-2H3/p+1/t23-/m0/s1
InChIKeyLCVKZCNJUUSFRD-QHCPKHFHSA-O
XLogP4.49
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.49
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

[4-(dimethylamino)phenyl]methyl-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium
CID 2045301
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7707419
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
CID 2047574
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium?
The IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium (CID 7707305) is [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium is CC(C)Oc1ccc([C@@H](CC[NH2+]Cc2ccco2)c2ccc(F)cc2)cc1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium?
The InChIKey is LCVKZCNJUUSFRD-QHCPKHFHSA-O. The full InChI is InChI=1S/C23H26FNO2/c1-17(2)27-21-11-7-19(8-12-21)23(18-5-9-20(24)10-6-18)13-14-25-16-22-4-3-15-26-22/h3-12,15,17,23,25H,13-14,16H2,1-2H3/p+1/t23-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium?
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium has a molecular weight of 368.47 g/mol, XLogP of 4.49, 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-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7707305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).