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

C12H19NO — CID 3016037

IUPAC2-(dimethylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(c1ccccc1)N(C)C
InChIInChI=1S/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyJDCWNZJOVSBOLK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.85
Rot. Bonds4

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

2-(dimethylamino)-2-phenylbutan-1-ol (PubChem CID 3016037) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(dimethylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-phenylbutan-1-ol
PubChem CID3016037
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(dimethylamino)-2-phenylbutan-1-ol
SMILESCCC(CO)(c1ccccc1)N(C)C
InChIInChI=1S/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKeyJDCWNZJOVSBOLK-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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Related Compounds

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CID 254815
2-Amino-2-phenylpropan-1-ol
CID 349733
2-Morpholin-4-yl-2-phenylethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-phenylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-phenylbutan-1-ol (CID 3016037) is 2-(dimethylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-phenylbutan-1-ol is CCC(CO)(c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-phenylbutan-1-ol?
The InChIKey is JDCWNZJOVSBOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(10-14,13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-phenylbutan-1-ol?
2-(dimethylamino)-2-phenylbutan-1-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 2-(dimethylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 3016037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).