[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium

C22H25FNOS+ — CID 2043190

IUPAC[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESCOc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/p+1/t16-,21-/m0/s1
InChIKeyDHVFCGXMEZIXNM-KKSFZXQISA-O
MW370.51 g/mol
LogP4.74
Rot. Bonds8

About [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium

[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium (PubChem CID 2043190) has the molecular formula C22H25FNOS+ and a molecular weight of 370.51 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
PubChem CID2043190
Molecular FormulaC22H25FNOS+
Molecular Weight370.51 g/mol
Exact Mass370.16
IUPAC Name[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
SMILESCOc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/p+1/t16-,21-/m0/s1
InChIKeyDHVFCGXMEZIXNM-KKSFZXQISA-O
XLogP4.74
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The IUPAC name of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium (CID 2043190) is [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium is COc1ccc([C@@H](CC[NH2+][C@@H](C)c2cccs2)c2ccc(F)cc2)cc1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
The InChIKey is DHVFCGXMEZIXNM-KKSFZXQISA-O. The full InChI is InChI=1S/C22H24FNOS/c1-16(22-4-3-15-26-22)24-14-13-21(17-5-9-19(23)10-6-17)18-7-11-20(25-2)12-8-18/h3-12,15-16,21,24H,13-14H2,1-2H3/p+1/t16-,21-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium?
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium has a molecular weight of 370.51 g/mol, XLogP of 4.74, 8 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]-[(1S)-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 2043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).