[methoxy(methyl)amino]-phenylmethanol

C9H13NO2 — CID 101161791

IUPAC[methoxy(methyl)amino]-phenylmethanol
SMILESCON(C)C(O)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7,9,11H,1-2H3
InChIKeyQQASMZXUJRMXMQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.17
Rot. Bonds3

About [methoxy(methyl)amino]-phenylmethanol

[methoxy(methyl)amino]-phenylmethanol (PubChem CID 101161791) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is [methoxy(methyl)amino]-phenylmethanol.

Molecular Properties

Compound Name[methoxy(methyl)amino]-phenylmethanol
PubChem CID101161791
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name[methoxy(methyl)amino]-phenylmethanol
SMILESCON(C)C(O)c1ccccc1
InChIInChI=1S/C9H13NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7,9,11H,1-2H3
InChIKeyQQASMZXUJRMXMQ-UHFFFAOYSA-N
XLogP1.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy(methyl)amino]-phenylmethanol?
The IUPAC name of [methoxy(methyl)amino]-phenylmethanol (CID 101161791) is [methoxy(methyl)amino]-phenylmethanol.
What is the SMILES notation for [methoxy(methyl)amino]-phenylmethanol?
The canonical SMILES for [methoxy(methyl)amino]-phenylmethanol is CON(C)C(O)c1ccccc1.
What is the InChIKey of [methoxy(methyl)amino]-phenylmethanol?
The InChIKey is QQASMZXUJRMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h3-7,9,11H,1-2H3.
What are the key properties of [methoxy(methyl)amino]-phenylmethanol?
[methoxy(methyl)amino]-phenylmethanol has a molecular weight of 167.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(methyl)amino]-phenylmethanol is sourced from PubChem (CID 101161791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).