[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium

C17H29ClNO2+ — CID 2286972

IUPAC[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
SMILESCC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3/p+1/t15-/m1/s1
InChIKeyHDXHODJLOSXAJJ-OAHLLOKOSA-O
MW314.88 g/mol
LogP2.28
Rot. Bonds9

About [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium

[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium (PubChem CID 2286972) has the molecular formula C17H29ClNO2+ and a molecular weight of 314.88 g/mol. Its IUPAC name is [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium.

Molecular Properties

Compound Name[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
PubChem CID2286972
Molecular FormulaC17H29ClNO2+
Molecular Weight314.88 g/mol
Exact Mass314.19
IUPAC Name[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium
SMILESCC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3/p+1/t15-/m1/s1
InChIKeyHDXHODJLOSXAJJ-OAHLLOKOSA-O
XLogP2.28
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
benzyl-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-ethylazanium
CID 7157672
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
[(2S)-1-(2-chlorophenoxy)propan-2-yl]boronic acid
CID 124673132
dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 5040154
1-(2-chlorophenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol
CID 112768285
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium?
The IUPAC name of [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium (CID 2286972) is [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium.
What is the SMILES notation for [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium?
The canonical SMILES for [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium is CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1Cl.
What is the InChIKey of [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium?
The InChIKey is HDXHODJLOSXAJJ-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H28ClNO2/c1-13(2)9-19(10-14(3)4)11-15(20)12-21-17-8-6-5-7-16(17)18/h5-8,13-15,20H,9-12H2,1-4H3/p+1/t15-/m1/s1.
What are the key properties of [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium?
[(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium has a molecular weight of 314.88 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2-chlorophenoxy)-2-hydroxypropyl]-bis(2-methylpropyl)azanium is sourced from PubChem (CID 2286972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).