(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium

C15H16Cl2NO+ — CID 7394464

IUPAC(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2/p+1/t15-/m0/s1
InChIKeyWQSDSDPSYHICRT-HNNXBMFYSA-O
MW297.21 g/mol
LogP2.79
Rot. Bonds5

About (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium

(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium (PubChem CID 7394464) has the molecular formula C15H16Cl2NO+ and a molecular weight of 297.21 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
PubChem CID7394464
Molecular FormulaC15H16Cl2NO+
Molecular Weight297.21 g/mol
Exact Mass296.06
IUPAC Name(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
SMILESO[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2/p+1/t15-/m0/s1
InChIKeyWQSDSDPSYHICRT-HNNXBMFYSA-O
XLogP2.79
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623092
(3,4-dichlorophenyl)methyl-(2-hydroxy-2,2-diphenylethyl)azanium
CID 7091495
[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 6948811
1-(3,4-dichlorophenyl)-3-phenylbutan-2-ol
CID 65149130
[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
CID 2118938
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
CID 44664906
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The IUPAC name of (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium (CID 7394464) is (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium.
What is the SMILES notation for (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The canonical SMILES for (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium is O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium?
The InChIKey is WQSDSDPSYHICRT-HNNXBMFYSA-O. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2/p+1/t15-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium?
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium has a molecular weight of 297.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium is sourced from PubChem (CID 7394464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).