2-[4-(dimethylamino)phenyl]-1-phenylethanol

C16H19NO — CID 134996096

IUPAC2-[4-(dimethylamino)phenyl]-1-phenylethanol
SMILESCN(C)c1ccc(CC(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-17(2)15-10-8-13(9-11-15)12-16(18)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyXQVFOSRZSFZCJQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.03
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-1-phenylethanol

2-[4-(dimethylamino)phenyl]-1-phenylethanol (PubChem CID 134996096) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-phenylethanol
PubChem CID134996096
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[4-(dimethylamino)phenyl]-1-phenylethanol
SMILESCN(C)c1ccc(CC(O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-17(2)15-10-8-13(9-11-15)12-16(18)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyXQVFOSRZSFZCJQ-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1-phenylethanol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-phenylethanol (CID 134996096) is 2-[4-(dimethylamino)phenyl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-phenylethanol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-phenylethanol is CN(C)c1ccc(CC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-phenylethanol?
The InChIKey is XQVFOSRZSFZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(2)15-10-8-13(9-11-15)12-16(18)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-phenylethanol?
2-[4-(dimethylamino)phenyl]-1-phenylethanol has a molecular weight of 241.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-phenylethanol is sourced from PubChem (CID 134996096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).