dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium

C18H32NO2+ — CID 2288015

IUPACdibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1C
InChIInChI=1S/C18H31NO2/c1-4-6-12-19(13-7-5-2)14-17(20)15-21-18-11-9-8-10-16(18)3/h8-11,17,20H,4-7,12-15H2,1-3H3/p+1/t17-/m1/s1
InChIKeyIGOYYRBLQWESAP-QGZVFWFLSA-O
MW294.46 g/mol
LogP2.22
Rot. Bonds11

About dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium

dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium (PubChem CID 2288015) has the molecular formula C18H32NO2+ and a molecular weight of 294.46 g/mol. Its IUPAC name is dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium.

Molecular Properties

Compound Namedibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium
PubChem CID2288015
Molecular FormulaC18H32NO2+
Molecular Weight294.46 g/mol
Exact Mass294.24
IUPAC Namedibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1C
InChIInChI=1S/C18H31NO2/c1-4-6-12-19(13-7-5-2)14-17(20)15-21-18-11-9-8-10-16(18)3/h8-11,17,20H,4-7,12-15H2,1-3H3/p+1/t17-/m1/s1
InChIKeyIGOYYRBLQWESAP-QGZVFWFLSA-O
XLogP2.22
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 5040154
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
CID 84564095
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
CID 5034063
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
CID 2142702
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355

Frequently Asked Questions

What is the IUPAC name of dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The IUPAC name of dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium (CID 2288015) is dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium.
What is the SMILES notation for dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The canonical SMILES for dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium is CCCC[NH+](CCCC)C[C@@H](O)COc1ccccc1C.
What is the InChIKey of dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The InChIKey is IGOYYRBLQWESAP-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H31NO2/c1-4-6-12-19(13-7-5-2)14-17(20)15-21-18-11-9-8-10-16(18)3/h8-11,17,20H,4-7,12-15H2,1-3H3/p+1/t17-/m1/s1.
What are the key properties of dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium has a molecular weight of 294.46 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]azanium is sourced from PubChem (CID 2288015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).