(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium

C16H18Cl2NO+ — CID 6938206

IUPAC(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
SMILESC[NH+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-13-14(17)8-5-9-15(13)18)11-16(20)12-6-3-2-4-7-12/h2-9,16,20H,10-11H2,1H3/p+1/t16-/m0/s1
InChIKeyWWWWGISDIGKKEN-INIZCTEOSA-O
MW311.23 g/mol
LogP2.74
Rot. Bonds5

About (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium

(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium (PubChem CID 6938206) has the molecular formula C16H18Cl2NO+ and a molecular weight of 311.23 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
PubChem CID6938206
Molecular FormulaC16H18Cl2NO+
Molecular Weight311.23 g/mol
Exact Mass310.08
IUPAC Name(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium
SMILESC[NH+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1
InChIInChI=1S/C16H17Cl2NO/c1-19(10-13-14(17)8-5-9-15(13)18)11-16(20)12-6-3-2-4-7-12/h2-9,16,20H,10-11H2,1H3/p+1/t16-/m0/s1
InChIKeyWWWWGISDIGKKEN-INIZCTEOSA-O
XLogP2.74
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,6-dichlorophenyl)-1-phenylbutan-1-ol
CID 64513522
(2-chloro-6-fluorophenyl)methyl-[(2S)-3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-methylazanium
CID 2090776
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
2-(2,6-dichlorophenyl)-1-(4-ethylphenyl)ethanol
CID 55187735
(1S)-N-[(2,6-dichlorophenyl)methyl]-1-phenylethanamine
CID 961193
(1S)-2-chloro-1-phenylethanol
CID 643323
dichloromethane;1-phenylpropan-1-ol
CID 175142848
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 55589570
1-phenylpropan-1-ol;hydrate
CID 156782934
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium?
The IUPAC name of (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium (CID 6938206) is (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium.
What is the SMILES notation for (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium?
The canonical SMILES for (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium is C[NH+](Cc1c(Cl)cccc1Cl)C[C@H](O)c1ccccc1.
What is the InChIKey of (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium?
The InChIKey is WWWWGISDIGKKEN-INIZCTEOSA-O. The full InChI is InChI=1S/C16H17Cl2NO/c1-19(10-13-14(17)8-5-9-15(13)18)11-16(20)12-6-3-2-4-7-12/h2-9,16,20H,10-11H2,1H3/p+1/t16-/m0/s1.
What are the key properties of (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium?
(2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium has a molecular weight of 311.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]-methylazanium is sourced from PubChem (CID 6938206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).