1-(dimethylamino)-2-phenylpropan-2-ol

C11H17NO — CID 12628014

IUPAC1-(dimethylamino)-2-phenylpropan-2-ol
SMILESCN(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(13,9-12(2)3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyKGONPNXTLUKURN-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.46
Rot. Bonds3

About 1-(dimethylamino)-2-phenylpropan-2-ol

1-(dimethylamino)-2-phenylpropan-2-ol (PubChem CID 12628014) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenylpropan-2-ol
PubChem CID12628014
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(dimethylamino)-2-phenylpropan-2-ol
SMILESCN(C)CC(C)(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-11(13,9-12(2)3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyKGONPNXTLUKURN-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-phenylpropan-2-ol (CID 12628014) is 1-(dimethylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-phenylpropan-2-ol is CN(C)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-2-phenylpropan-2-ol?
The InChIKey is KGONPNXTLUKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(13,9-12(2)3)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-phenylpropan-2-ol?
1-(dimethylamino)-2-phenylpropan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 12628014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).