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

C12H20ClNO — CID 129318536

IUPAC1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride
SMILESCCC(O)(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeySVAGZODCPHFYAK-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.27
Rot. Bonds4

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

1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride (PubChem CID 129318536) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride
PubChem CID129318536
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride
SMILESCCC(O)(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H
InChIKeySVAGZODCPHFYAK-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.27
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;hydrochloride?
The IUPAC name of 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride (CID 129318536) is 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride is CCC(O)(CN(C)C)c1ccccc1.Cl.
What is the InChIKey of 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride?
The InChIKey is SVAGZODCPHFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11;/h5-9,14H,4,10H2,1-3H3;1H.
What are the key properties of 1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride?
1-(dimethylamino)-2-phenylbutan-2-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 129318536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).