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

C17H21NO — CID 134931839

IUPAC2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol
SMILESCC(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3/h4-13,17,19H,1-3H3
InChIKeyHTIPOCWRAQKJIH-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.59
Rot. Bonds4

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

2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol (PubChem CID 134931839) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol
PubChem CID134931839
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol
SMILESCC(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3/h4-13,17,19H,1-3H3
InChIKeyHTIPOCWRAQKJIH-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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-phenylpropan-1-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol (CID 134931839) is 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol is CC(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol?
The InChIKey is HTIPOCWRAQKJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(17(19)15-7-5-4-6-8-15)14-9-11-16(12-10-14)18(2)3/h4-13,17,19H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol?
2-[4-(dimethylamino)phenyl]-1-phenylpropan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.59, 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-phenylpropan-1-ol is sourced from PubChem (CID 134931839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).