tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium

C14H24NO2+ — CID 8741445

IUPACtert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
SMILESCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11-5-7-13(8-6-11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/p+1/t12-/m1/s1
InChIKeyLWOHFRGZWYFRBJ-GFCCVEGCSA-O
MW238.35 g/mol
LogP1.10
Rot. Bonds5

About tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium

tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium (PubChem CID 8741445) has the molecular formula C14H24NO2+ and a molecular weight of 238.35 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
PubChem CID8741445
Molecular FormulaC14H24NO2+
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
SMILESCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-11-5-7-13(8-6-11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/p+1/t12-/m1/s1
InChIKeyLWOHFRGZWYFRBJ-GFCCVEGCSA-O
XLogP1.10
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium
CID 2046218
tert-butyl-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]azanium
CID 4151647
tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
CID 786489
tert-butyl-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium chloride
CID 2830249
tert-butyl-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 25271750
tert-butyl-[(2R)-2-hydroxy-3-(5-methyl-2-nitrophenoxy)propyl]azanium
CID 7377792
2-adamantyl-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
CID 9451570
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
1-(3,5-dimethylanilino)-3-(4-methylphenoxy)propan-2-ol
CID 60720370
tert-butyl-[2-hydroxy-3-[4-[(4-nitrophenyl)sulfonylamino]phenoxy]propyl]azanium chloride
CID 110168539
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium (CID 8741445) is tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium.
What is the SMILES notation for tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The canonical SMILES for tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium is Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
The InChIKey is LWOHFRGZWYFRBJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C14H23NO2/c1-11-5-7-13(8-6-11)17-10-12(16)9-15-14(2,3)4/h5-8,12,15-16H,9-10H2,1-4H3/p+1/t12-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium?
tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium has a molecular weight of 238.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium is sourced from PubChem (CID 8741445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).