3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol

C16H27NO2 — CID 83926821

IUPAC3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C(C)CO)N(C)C)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)14-9-13(7-8-15(14)19-6)16(17(4)5)12(3)10-18/h7-9,11-12,16,18H,10H2,1-6H3
InChIKeyWXMFUVNAIWRIBC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds6

About 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol

3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol (PubChem CID 83926821) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
PubChem CID83926821
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C(C)CO)N(C)C)cc1C(C)C
InChIInChI=1S/C16H27NO2/c1-11(2)14-9-13(7-8-15(14)19-6)16(17(4)5)12(3)10-18/h7-9,11-12,16,18H,10H2,1-6H3
InChIKeyWXMFUVNAIWRIBC-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83935223
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)propanenitrile
CID 116909895
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
4-amino-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116938153
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol (CID 83926821) is 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol is COc1ccc(C(C(C)CO)N(C)C)cc1C(C)C.
What is the InChIKey of 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is WXMFUVNAIWRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)14-9-13(7-8-15(14)19-6)16(17(4)5)12(3)10-18/h7-9,11-12,16,18H,10H2,1-6H3.
What are the key properties of 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol?
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83926821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).