1-(dimethylamino)-1-phenylethanol

C10H15NO — CID 22755372

IUPAC1-(dimethylamino)-1-phenylethanol
SMILESCN(C)C(C)(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(12,11(2)3)9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyVOVBTPLWTCSMLY-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.41
Rot. Bonds2

About 1-(dimethylamino)-1-phenylethanol

1-(dimethylamino)-1-phenylethanol (PubChem CID 22755372) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(dimethylamino)-1-phenylethanol.

Molecular Properties

Compound Name1-(dimethylamino)-1-phenylethanol
PubChem CID22755372
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(dimethylamino)-1-phenylethanol
SMILESCN(C)C(C)(O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-10(12,11(2)3)9-7-5-4-6-8-9/h4-8,12H,1-3H3
InChIKeyVOVBTPLWTCSMLY-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-phenylethanol?
The IUPAC name of 1-(dimethylamino)-1-phenylethanol (CID 22755372) is 1-(dimethylamino)-1-phenylethanol.
What is the SMILES notation for 1-(dimethylamino)-1-phenylethanol?
The canonical SMILES for 1-(dimethylamino)-1-phenylethanol is CN(C)C(C)(O)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-1-phenylethanol?
The InChIKey is VOVBTPLWTCSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(12,11(2)3)9-7-5-4-6-8-9/h4-8,12H,1-3H3.
What are the key properties of 1-(dimethylamino)-1-phenylethanol?
1-(dimethylamino)-1-phenylethanol has a molecular weight of 165.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-phenylethanol is sourced from PubChem (CID 22755372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).