3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol

C15H25NO — CID 79062969

IUPAC3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
SMILESCCC(C)(C(O)Cc1ccccc1C)N(C)C
InChIInChI=1S/C15H25NO/c1-6-15(3,16(4)5)14(17)11-13-10-8-7-9-12(13)2/h7-10,14,17H,6,11H2,1-5H3
InChIKeyVLMCGDLZKNSPQR-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.63
Rot. Bonds5

About 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol

3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol (PubChem CID 79062969) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
PubChem CID79062969
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol
SMILESCCC(C)(C(O)Cc1ccccc1C)N(C)C
InChIInChI=1S/C15H25NO/c1-6-15(3,16(4)5)14(17)11-13-10-8-7-9-12(13)2/h7-10,14,17H,6,11H2,1-5H3
InChIKeyVLMCGDLZKNSPQR-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol (CID 79062969) is 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol is CCC(C)(C(O)Cc1ccccc1C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol?
The InChIKey is VLMCGDLZKNSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-15(3,16(4)5)14(17)11-13-10-8-7-9-12(13)2/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol?
3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-(2-methylphenyl)pentan-2-ol is sourced from PubChem (CID 79062969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).