(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium

C12H20NO2+ — CID 6994569

IUPAC(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C(C)(C)CO)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10/h4-7,13-14H,8-9H2,1-3H3/p+1
InChIKeyOGOJQUAOZLKENI-UHFFFAOYSA-O
MW210.30 g/mol
LogP0.53
Rot. Bonds5

About (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium

(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium (PubChem CID 6994569) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
PubChem CID6994569
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]C(C)(C)CO)cc1
InChIInChI=1S/C12H19NO2/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10/h4-7,13-14H,8-9H2,1-3H3/p+1
InChIKeyOGOJQUAOZLKENI-UHFFFAOYSA-O
XLogP0.53
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)methanol
CID 7738
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
2-[(4-methoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 6458035
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
2-[(4-methoxyphenyl)methyl]-2-(methylamino)propane-1,3-diol
CID 121015626
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium (CID 6994569) is (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]C(C)(C)CO)cc1.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is OGOJQUAOZLKENI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NO2/c1-12(2,9-14)13-8-10-4-6-11(15-3)7-5-10/h4-7,13-14H,8-9H2,1-3H3/p+1.
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium?
(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 210.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 6994569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).