1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol

C19H25NO2 — CID 3070702

IUPAC1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccccc1CCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
InChIKeyQXHABUAVMNCRKP-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.77
Rot. Bonds8

About 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol

1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol (PubChem CID 3070702) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol
PubChem CID3070702
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccccc1CCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3
InChIKeyQXHABUAVMNCRKP-UHFFFAOYSA-N
XLogP2.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol (CID 3070702) is 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol is CN(C)CC(O)COc1ccccc1CCc1ccccc1.
What is the InChIKey of 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol?
The InChIKey is QXHABUAVMNCRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-20(2)14-18(21)15-22-19-11-7-6-10-17(19)13-12-16-8-4-3-5-9-16/h3-11,18,21H,12-15H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol?
1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-(2-phenylethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 3070702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).