[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

C23H25ClNO2+ — CID 7311627

IUPAC[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-17(23(26)20-5-3-2-4-6-20)25-15-18-9-13-22(14-10-18)27-16-19-7-11-21(24)12-8-19/h2-14,17,23,25-26H,15-16H2,1H3/p+1/t17-,23-/m0/s1
InChIKeyBJMUGVJXKMIWFB-SBUREZEXSA-O
MW382.91 g/mol
LogP4.10
Rot. Bonds8

About [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium

[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (PubChem CID 7311627) has the molecular formula C23H25ClNO2+ and a molecular weight of 382.91 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
PubChem CID7311627
Molecular FormulaC23H25ClNO2+
Molecular Weight382.91 g/mol
Exact Mass382.16
IUPAC Name[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C23H24ClNO2/c1-17(23(26)20-5-3-2-4-6-20)25-15-18-9-13-22(14-10-18)27-16-19-7-11-21(24)12-8-19/h2-14,17,23,25-26H,15-16H2,1H3/p+1/t17-,23-/m0/s1
InChIKeyBJMUGVJXKMIWFB-SBUREZEXSA-O
XLogP4.10
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium with MolForge

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Related Compounds

[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
CID 7390028
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
CID 110184492
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(4-methylphenyl)propyl]azanium chloride
CID 110185128
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
3-(3,4-dimethoxyphenyl)propyl-[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride
CID 110185116
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185098
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
CID 2077749
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium (CID 7311627) is [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is C[C@H]([NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The InChIKey is BJMUGVJXKMIWFB-SBUREZEXSA-O. The full InChI is InChI=1S/C23H24ClNO2/c1-17(23(26)20-5-3-2-4-6-20)25-15-18-9-13-22(14-10-18)27-16-19-7-11-21(24)12-8-19/h2-14,17,23,25-26H,15-16H2,1H3/p+1/t17-,23-/m0/s1.
What are the key properties of [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium?
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium has a molecular weight of 382.91 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 7311627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).