1-(dimethylamino)-2-phenylbutan-2-ol

C12H19NO — CID 20561659

IUPAC1-(dimethylamino)-2-phenylbutan-2-ol
SMILESCCC(O)(CN(C)C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyTXXOHRYHPSLKNY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.85
Rot. Bonds4

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

1-(dimethylamino)-2-phenylbutan-2-ol (PubChem CID 20561659) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenylbutan-2-ol
PubChem CID20561659
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(dimethylamino)-2-phenylbutan-2-ol
SMILESCCC(O)(CN(C)C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyTXXOHRYHPSLKNY-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-phenylbutan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-phenylbutan-2-ol (CID 20561659) is 1-(dimethylamino)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-phenylbutan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-phenylbutan-2-ol is CCC(O)(CN(C)C)c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-2-phenylbutan-2-ol?
The InChIKey is TXXOHRYHPSLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3.
What are the key properties of 1-(dimethylamino)-2-phenylbutan-2-ol?
1-(dimethylamino)-2-phenylbutan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-phenylbutan-2-ol is sourced from PubChem (CID 20561659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).