(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium

C20H28NO2+ — CID 7911352

IUPAC(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2cc(C(C)C)c(C)cc2O)cc1
InChIInChI=1S/C20H27NO2/c1-14(2)19-11-17(20(22)10-15(19)3)13-21(4)12-16-6-8-18(23-5)9-7-16/h6-11,14,22H,12-13H2,1-5H3/p+1
InChIKeyWBVZKZUYRKNZED-UHFFFAOYSA-O
MW314.45 g/mol
LogP3.05
Rot. Bonds6

About (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium

(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium (PubChem CID 7911352) has the molecular formula C20H28NO2+ and a molecular weight of 314.45 g/mol. Its IUPAC name is (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium
PubChem CID7911352
Molecular FormulaC20H28NO2+
Molecular Weight314.45 g/mol
Exact Mass314.21
IUPAC Name(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cc2cc(C(C)C)c(C)cc2O)cc1
InChIInChI=1S/C20H27NO2/c1-14(2)19-11-17(20(22)10-15(19)3)13-21(4)12-16-6-8-18(23-5)9-7-16/h6-11,14,22H,12-13H2,1-5H3/p+1
InChIKeyWBVZKZUYRKNZED-UHFFFAOYSA-O
XLogP3.05
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3330142
5-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-propan-2-ylphenol
CID 7911459
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787
(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9265127
[(3R)-1,1-dioxothiolan-3-yl]-ethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]azanium
CID 9242132
[(3S)-1,1-dioxothiolan-3-yl]-ethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]azanium
CID 9242140
(2-hydroxy-7-methoxynaphthalen-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323567
5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
CID 107699770
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011572
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761145

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium?
The IUPAC name of (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium (CID 7911352) is (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium?
The canonical SMILES for (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium is COc1ccc(C[NH+](C)Cc2cc(C(C)C)c(C)cc2O)cc1.
What is the InChIKey of (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium?
The InChIKey is WBVZKZUYRKNZED-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27NO2/c1-14(2)19-11-17(20(22)10-15(19)3)13-21(4)12-16-6-8-18(23-5)9-7-16/h6-11,14,22H,12-13H2,1-5H3/p+1.
What are the key properties of (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium?
(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium has a molecular weight of 314.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[(4-methoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 7911352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).