2-methylimino-1-phenylethanol

C9H11NO — CID 151158403

IUPAC2-methylimino-1-phenylethanol
SMILESC/N=C/C(O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/b10-7+
InChIKeyMZSYCOPMGGVDEE-JXMROGBWSA-N
MW149.19 g/mol
LogP1.42
Rot. Bonds2

About 2-methylimino-1-phenylethanol

2-methylimino-1-phenylethanol (PubChem CID 151158403) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methylimino-1-phenylethanol.

Molecular Properties

Compound Name2-methylimino-1-phenylethanol
PubChem CID151158403
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methylimino-1-phenylethanol
SMILESC/N=C/C(O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/b10-7+
InChIKeyMZSYCOPMGGVDEE-JXMROGBWSA-N
XLogP1.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-Methylimino-1-phenylpropan-1-ol
CID 656502
(E)-2-(Benzylideneamino)-1-phenylethanol
CID 2841414
5-Phenylisoxazoline
CID 568817
(2E)-2-hydroxyimino-1-phenylpropan-1-ol
CID 9561404
2-(Benzylideneamino)-1-phenyl-1-propanol
CID 3342267
(E)-2-ethyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
CID 10933832
4-Isopropyl-5-phenyl-4,5-dihydroisoxazole
CID 91714423
(2E)-1-phenyl-2-pyrrolidin-1-yliminoethanol
CID 134987510
Ethyl 2-hydroxy-2-phenylethanimidate
CID 425536
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
4-Methyl-5-phenylisoxazoline
CID 13123757
(2E)-2-hydroxyimino-1-phenylethanol
CID 13332651

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-1-phenylethanol?
The IUPAC name of 2-methylimino-1-phenylethanol (CID 151158403) is 2-methylimino-1-phenylethanol.
What is the SMILES notation for 2-methylimino-1-phenylethanol?
The canonical SMILES for 2-methylimino-1-phenylethanol is C/N=C/C(O)c1ccccc1.
What is the InChIKey of 2-methylimino-1-phenylethanol?
The InChIKey is MZSYCOPMGGVDEE-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3/b10-7+.
What are the key properties of 2-methylimino-1-phenylethanol?
2-methylimino-1-phenylethanol has a molecular weight of 149.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-1-phenylethanol is sourced from PubChem (CID 151158403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).