1-(dimethylamino)-1-phenylpropan-1-ol

C11H17NO — CID 19832402

IUPAC1-(dimethylamino)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)N(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3
InChIKeyOEDROJFBGOPTFU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.80
Rot. Bonds3

About 1-(dimethylamino)-1-phenylpropan-1-ol

1-(dimethylamino)-1-phenylpropan-1-ol (PubChem CID 19832402) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(dimethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-phenylpropan-1-ol
PubChem CID19832402
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(dimethylamino)-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)N(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3
InChIKeyOEDROJFBGOPTFU-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.80
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-phenylpropan-1-ol?
The IUPAC name of 1-(dimethylamino)-1-phenylpropan-1-ol (CID 19832402) is 1-(dimethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(dimethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(dimethylamino)-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-phenylpropan-1-ol?
The InChIKey is OEDROJFBGOPTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(13,12(2)3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-phenylpropan-1-ol?
1-(dimethylamino)-1-phenylpropan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 19832402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).