[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium

C19H19ClNO2+ — CID 8622860

IUPAC[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H18ClNO2/c20-16-8-4-7-15(11-16)19-10-9-17(23-19)12-21-13-18(22)14-5-2-1-3-6-14/h1-11,18,21-22H,12-13H2/p+1/t18-/m1/s1
InChIKeyXPNTXPOZXFWYIQ-GOSISDBHSA-O
MW328.82 g/mol
LogP3.40
Rot. Bonds6

About [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium

[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium (PubChem CID 8622860) has the molecular formula C19H19ClNO2+ and a molecular weight of 328.82 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
PubChem CID8622860
Molecular FormulaC19H19ClNO2+
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@H](C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H18ClNO2/c20-16-8-4-7-15(11-16)19-10-9-17(23-19)12-21-13-18(22)14-5-2-1-3-6-14/h1-11,18,21-22H,12-13H2/p+1/t18-/m1/s1
InChIKeyXPNTXPOZXFWYIQ-GOSISDBHSA-O
XLogP3.40
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8622580
[5-(3-chlorophenyl)furan-2-yl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 8622846
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 7394464
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
[(1R)-1-(1-adamantyl)ethyl]-[[5-(3-chlorophenyl)furan-2-yl]methyl]azanium
CID 8622776
(2-chlorophenyl)methyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 8638991
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium (CID 8622860) is [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium is O[C@H](C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
The InChIKey is XPNTXPOZXFWYIQ-GOSISDBHSA-O. The full InChI is InChI=1S/C19H18ClNO2/c20-16-8-4-7-15(11-16)19-10-9-17(23-19)12-21-13-18(22)14-5-2-1-3-6-14/h1-11,18,21-22H,12-13H2/p+1/t18-/m1/s1.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium?
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium has a molecular weight of 328.82 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium is sourced from PubChem (CID 8622860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).