tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium

C16H28NO2+ — CID 786489

IUPACtert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
SMILESCc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-11-7-12(2)15(13(3)8-11)19-10-14(18)9-17-16(4,5)6/h7-8,14,17-18H,9-10H2,1-6H3/p+1/t14-/m1/s1
InChIKeyQBVBSZGSMKFHHH-CQSZACIVSA-O
MW266.40 g/mol
LogP1.71
Rot. Bonds5

About tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium

tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium (PubChem CID 786489) has the molecular formula C16H28NO2+ and a molecular weight of 266.40 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
PubChem CID786489
Molecular FormulaC16H28NO2+
Molecular Weight266.40 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium
SMILESCc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c(C)c1
InChIInChI=1S/C16H27NO2/c1-11-7-12(2)15(13(3)8-11)19-10-14(18)9-17-16(4,5)6/h7-8,14,17-18H,9-10H2,1-6H3/p+1/t14-/m1/s1
InChIKeyQBVBSZGSMKFHHH-CQSZACIVSA-O
XLogP1.71
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium with MolForge

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Related Compounds

1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
tert-butyl-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium
CID 8741445
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
tert-butyl-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]azanium
CID 25271750
tert-butyl-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium chloride
CID 2830249
tert-butyl-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium
CID 2046218
tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
tert-butyl-[(2R)-2-hydroxy-3-(5-methyl-2-nitrophenoxy)propyl]azanium
CID 7377792
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 61220683
3-[4-(hydroxymethyl)-2,6-dimethylphenoxy]propane-1,2-diol
CID 82850178
tert-butyl-[(2R)-2-hydroxy-3-(5-methyl-2-oxochromen-8-yl)oxypropyl]azanium
CID 86294885

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium?
The IUPAC name of tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium (CID 786489) is tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium.
What is the SMILES notation for tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium?
The canonical SMILES for tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium is Cc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium?
The InChIKey is QBVBSZGSMKFHHH-CQSZACIVSA-O. The full InChI is InChI=1S/C16H27NO2/c1-11-7-12(2)15(13(3)8-11)19-10-14(18)9-17-16(4,5)6/h7-8,14,17-18H,9-10H2,1-6H3/p+1/t14-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium?
tert-butyl-[(2R)-2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]azanium has a molecular weight of 266.40 g/mol, XLogP of 1.71, 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-(2,4,6-trimethylphenoxy)propyl]azanium is sourced from PubChem (CID 786489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).