(2R)-2-(methylideneamino)-2-phenylethanol

C9H11NO — CID 118258496

IUPAC(2R)-2-(methylideneamino)-2-phenylethanol
SMILESC=N[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,1,7H2/t9-/m0/s1
InChIKeyDZCQIFLWPOYCSL-VIFPVBQESA-N
MW149.19 g/mol
LogP1.42
Rot. Bonds3

About (2R)-2-(methylideneamino)-2-phenylethanol

(2R)-2-(methylideneamino)-2-phenylethanol (PubChem CID 118258496) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (2R)-2-(methylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(methylideneamino)-2-phenylethanol
PubChem CID118258496
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(2R)-2-(methylideneamino)-2-phenylethanol
SMILESC=N[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H11NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,1,7H2/t9-/m0/s1
InChIKeyDZCQIFLWPOYCSL-VIFPVBQESA-N
XLogP1.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylideneamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(methylideneamino)-2-phenylethanol (CID 118258496) is (2R)-2-(methylideneamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(methylideneamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(methylideneamino)-2-phenylethanol is C=N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-(methylideneamino)-2-phenylethanol?
The InChIKey is DZCQIFLWPOYCSL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-6,9,11H,1,7H2/t9-/m0/s1.
What are the key properties of (2R)-2-(methylideneamino)-2-phenylethanol?
(2R)-2-(methylideneamino)-2-phenylethanol has a molecular weight of 149.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylideneamino)-2-phenylethanol is sourced from PubChem (CID 118258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).