[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium

C15H23BrNO2+ — CID 7420719

IUPAC[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
SMILESO[C@H](C[NH2+]C1CCCCC1)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/p+1/t13-/m1/s1
InChIKeySPWCMRXATBXDBE-CYBMUJFWSA-O
MW329.26 g/mol
LogP2.08
Rot. Bonds6

About [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium

[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium (PubChem CID 7420719) has the molecular formula C15H23BrNO2+ and a molecular weight of 329.26 g/mol. Its IUPAC name is [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium.

Molecular Properties

Compound Name[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
PubChem CID7420719
Molecular FormulaC15H23BrNO2+
Molecular Weight329.26 g/mol
Exact Mass328.09
IUPAC Name[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium
SMILESO[C@H](C[NH2+]C1CCCCC1)COc1ccccc1Br
InChIInChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/p+1/t13-/m1/s1
InChIKeySPWCMRXATBXDBE-CYBMUJFWSA-O
XLogP2.08
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]azanium
CID 2142734
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
[(2R)-3-(4-benzoylphenoxy)-2-hydroxypropyl]-cyclooctylazanium
CID 2102085
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
(2S)-1-(2-bromophenoxy)-3-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 7073872
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
cyclopentyl-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium
CID 7473365
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
cyclohexyl-[3-(cyclohexylazaniumyl)-2-hydroxypropyl]azanium
CID 3441735
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium?
The IUPAC name of [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium (CID 7420719) is [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium.
What is the SMILES notation for [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium?
The canonical SMILES for [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium is O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1Br.
What is the InChIKey of [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium?
The InChIKey is SPWCMRXATBXDBE-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H22BrNO2/c16-14-8-4-5-9-15(14)19-11-13(18)10-17-12-6-2-1-3-7-12/h4-5,8-9,12-13,17-18H,1-3,6-7,10-11H2/p+1/t13-/m1/s1.
What are the key properties of [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium?
[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium has a molecular weight of 329.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-cyclohexylazanium is sourced from PubChem (CID 7420719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).