1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol

C16H27NO — CID 116911318

IUPAC1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(C)c1ccc(C(N(C)C)C(C)(C)O)cc1
InChIInChI=1S/C16H27NO/c1-7-12(2)13-8-10-14(11-9-13)15(17(5)6)16(3,4)18/h8-12,15,18H,7H2,1-6H3
InChIKeyRHYDFGAWZWOSOE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol

1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 116911318) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
PubChem CID116911318
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol
SMILESCCC(C)c1ccc(C(N(C)C)C(C)(C)O)cc1
InChIInChI=1S/C16H27NO/c1-7-12(2)13-8-10-14(11-9-13)15(17(5)6)16(3,4)18/h8-12,15,18H,7H2,1-6H3
InChIKeyRHYDFGAWZWOSOE-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-1-(4-ethylsulfanylphenyl)-2-methylpropan-2-ol
CID 116911368
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
1-(4-butan-2-ylphenyl)-1-chloro-N,N-dimethylmethanamine
CID 116915181
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
CID 116911342
2-(4-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propan-2-ol
CID 162348435
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
CID 123774225
CID 123774225
1-butan-2-yl-4-(1-chloro-2,2-dimethylbutyl)benzene
CID 63429913
2-amino-3-(4-butan-2-ylphenyl)-3-(dimethylamino)propan-1-ol
CID 116911554
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol (CID 116911318) is 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol is CCC(C)c1ccc(C(N(C)C)C(C)(C)O)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is RHYDFGAWZWOSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-12(2)13-8-10-14(11-9-13)15(17(5)6)16(3,4)18/h8-12,15,18H,7H2,1-6H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol?
1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-1-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 116911318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).