1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol

C17H21NO — CID 122200882

IUPAC1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol
SMILESCN(C)c1ccc(CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(19,15-7-5-4-6-8-15)13-14-9-11-16(12-10-14)18(2)3/h4-12,19H,13H2,1-3H3
InChIKeyUKFUAWKHTQDQGC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.20
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol

1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol (PubChem CID 122200882) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol
PubChem CID122200882
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol
SMILESCN(C)c1ccc(CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-17(19,15-7-5-4-6-8-15)13-14-9-11-16(12-10-14)18(2)3/h4-12,19H,13H2,1-3H3
InChIKeyUKFUAWKHTQDQGC-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.20
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 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol (CID 122200882) is 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol is CN(C)c1ccc(CC(C)(O)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol?
The InChIKey is UKFUAWKHTQDQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(19,15-7-5-4-6-8-15)13-14-9-11-16(12-10-14)18(2)3/h4-12,19H,13H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol?
1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-phenylpropan-2-ol is sourced from PubChem (CID 122200882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).