2-methylimino-1-phenylpropan-1-ol

C10H13NO — CID 78202320

IUPAC2-methylimino-1-phenylpropan-1-ol
SMILESC/N=C(\C)C(O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/b11-8+
InChIKeyWJOBFSVTSCWIDG-DHZHZOJOSA-N
MW163.22 g/mol
LogP1.81
Rot. Bonds2

About 2-methylimino-1-phenylpropan-1-ol

2-methylimino-1-phenylpropan-1-ol (PubChem CID 78202320) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methylimino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-methylimino-1-phenylpropan-1-ol
PubChem CID78202320
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methylimino-1-phenylpropan-1-ol
SMILESC/N=C(\C)C(O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/b11-8+
InChIKeyWJOBFSVTSCWIDG-DHZHZOJOSA-N
XLogP1.81
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
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 2-methylimino-1-phenylpropan-1-ol?
The IUPAC name of 2-methylimino-1-phenylpropan-1-ol (CID 78202320) is 2-methylimino-1-phenylpropan-1-ol.
What is the SMILES notation for 2-methylimino-1-phenylpropan-1-ol?
The canonical SMILES for 2-methylimino-1-phenylpropan-1-ol is C/N=C(\C)C(O)c1ccccc1.
What is the InChIKey of 2-methylimino-1-phenylpropan-1-ol?
The InChIKey is WJOBFSVTSCWIDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-7,10,12H,1-2H3/b11-8+.
What are the key properties of 2-methylimino-1-phenylpropan-1-ol?
2-methylimino-1-phenylpropan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1-phenylpropan-1-ol is sourced from PubChem (CID 78202320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).