2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol

C12H19NO2 — CID 117299228

IUPAC2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
SMILESCONCc1c(C(C)C)ccc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-5-9(3)12(14)11(10)7-13-15-4/h5-6,8,13-14H,7H2,1-4H3
InChIKeyXHWXQBXGCHJTBU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.48
Rot. Bonds4

About 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol

2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol (PubChem CID 117299228) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
PubChem CID117299228
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol
SMILESCONCc1c(C(C)C)ccc(C)c1O
InChIInChI=1S/C12H19NO2/c1-8(2)10-6-5-9(3)12(14)11(10)7-13-15-4/h5-6,8,13-14H,7H2,1-4H3
InChIKeyXHWXQBXGCHJTBU-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
2-amino-3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84700094
N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
2-[(2-hydroxy-3-methyl-6-propan-2-ylphenyl)diazenyl]-6-methyl-3-propan-2-ylphenol
CID 175998451
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541
1-(6-chloro-2,3-dimethylphenyl)-N-methoxymethanamine
CID 117288952
N-methoxy-1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)methanamine
CID 117327472
2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
CID 102189709

Frequently Asked Questions

What is the IUPAC name of 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol?
The IUPAC name of 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol (CID 117299228) is 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol?
The canonical SMILES for 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol is CONCc1c(C(C)C)ccc(C)c1O.
What is the InChIKey of 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol?
The InChIKey is XHWXQBXGCHJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10-6-5-9(3)12(14)11(10)7-13-15-4/h5-6,8,13-14H,7H2,1-4H3.
What are the key properties of 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol?
2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol has a molecular weight of 209.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methoxyamino)methyl]-6-methyl-3-propan-2-ylphenol is sourced from PubChem (CID 117299228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).