[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium

C21H23ClNO+ — CID 7376292

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
SMILESC[C@@H]([NH2+]CC[C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO/c1-16(17-9-11-19(22)12-10-17)23-14-13-20(21-8-5-15-24-21)18-6-3-2-4-7-18/h2-12,15-16,20,23H,13-14H2,1H3/p+1/t16-,20+/m1/s1
InChIKeyOQCCEORISKRECA-UZLBHIALSA-O
MW340.87 g/mol
LogP4.78
Rot. Bonds7

About [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium (PubChem CID 7376292) has the molecular formula C21H23ClNO+ and a molecular weight of 340.87 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
PubChem CID7376292
Molecular FormulaC21H23ClNO+
Molecular Weight340.87 g/mol
Exact Mass340.15
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
SMILESC[C@@H]([NH2+]CC[C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClNO/c1-16(17-9-11-19(22)12-10-17)23-14-13-20(21-8-5-15-24-21)18-6-3-2-4-7-18/h2-12,15-16,20,23H,13-14H2,1H3/p+1/t16-,20+/m1/s1
InChIKeyOQCCEORISKRECA-UZLBHIALSA-O
XLogP4.78
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(furan-2-yl)-4-phenylbutyl]azanium
CID 7392780
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium
CID 2045527
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 156579514
4-(4-chlorophenoxy)butyl-[(1S)-1-phenylethyl]azanium
CID 2182151
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
[(1R)-1-(furan-2-yl)but-3-enyl]-[(1S)-1-phenylethyl]azanium
CID 2430997
4-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1,2,4-triazole
CID 95125911

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium (CID 7376292) is [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium is C[C@@H]([NH2+]CC[C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium?
The InChIKey is OQCCEORISKRECA-UZLBHIALSA-O. The full InChI is InChI=1S/C21H22ClNO/c1-16(17-9-11-19(22)12-10-17)23-14-13-20(21-8-5-15-24-21)18-6-3-2-4-7-18/h2-12,15-16,20,23H,13-14H2,1H3/p+1/t16-,20+/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium has a molecular weight of 340.87 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium is sourced from PubChem (CID 7376292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).