1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide

C10H15NO2 — CID 11344368

IUPAC1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide
SMILESCc1ccc(O)c(C[N+](C)(C)[O-])c1
InChIInChI=1S/C10H15NO2/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,12H,7H2,1-3H3
InChIKeySHTAQOPZNMNQRW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.77
Rot. Bonds2

About 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide

1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide (PubChem CID 11344368) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide
PubChem CID11344368
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide
SMILESCc1ccc(O)c(C[N+](C)(C)[O-])c1
InChIInChI=1S/C10H15NO2/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,12H,7H2,1-3H3
InChIKeySHTAQOPZNMNQRW-UHFFFAOYSA-N
XLogP1.77
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide
CID 11182835
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-(diazenylmethyl)-4-methylphenol
CID 123647682
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
CID 139494540
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide (CID 11344368) is 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide is Cc1ccc(O)c(C[N+](C)(C)[O-])c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide?
The InChIKey is SHTAQOPZNMNQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-4-5-10(12)9(6-8)7-11(2,3)13/h4-6,12H,7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide?
1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide has a molecular weight of 181.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide is sourced from PubChem (CID 11344368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).