1-imino-2-methyl-1-phenylpropan-2-ol

C10H13NO — CID 134923936

IUPAC1-imino-2-methyl-1-phenylpropan-2-ol
SMILES[H]/N=C(\c1ccccc1)C(C)(C)O
InChIInChI=1S/C10H13NO/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,11-12H,1-2H3/b11-9+
InChIKeyWBKPRNMTPWCANO-PKNBQFBNSA-N
MW163.22 g/mol
LogP1.83
Rot. Bonds2

About 1-imino-2-methyl-1-phenylpropan-2-ol

1-imino-2-methyl-1-phenylpropan-2-ol (PubChem CID 134923936) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-imino-2-methyl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-imino-2-methyl-1-phenylpropan-2-ol
PubChem CID134923936
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-imino-2-methyl-1-phenylpropan-2-ol
SMILES[H]/N=C(\c1ccccc1)C(C)(C)O
InChIInChI=1S/C10H13NO/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,11-12H,1-2H3/b11-9+
InChIKeyWBKPRNMTPWCANO-PKNBQFBNSA-N
XLogP1.83
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imino-2-methyl-1-phenylpropan-2-ol?
The IUPAC name of 1-imino-2-methyl-1-phenylpropan-2-ol (CID 134923936) is 1-imino-2-methyl-1-phenylpropan-2-ol.
What is the SMILES notation for 1-imino-2-methyl-1-phenylpropan-2-ol?
The canonical SMILES for 1-imino-2-methyl-1-phenylpropan-2-ol is [H]/N=C(\c1ccccc1)C(C)(C)O.
What is the InChIKey of 1-imino-2-methyl-1-phenylpropan-2-ol?
The InChIKey is WBKPRNMTPWCANO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,11-12H,1-2H3/b11-9+.
What are the key properties of 1-imino-2-methyl-1-phenylpropan-2-ol?
1-imino-2-methyl-1-phenylpropan-2-ol has a molecular weight of 163.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-2-methyl-1-phenylpropan-2-ol is sourced from PubChem (CID 134923936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).