3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol

C15H25NO2 — CID 83942689

IUPAC3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
SMILESCCc1ccc(OC)c(C(C(C)CO)N(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(9-12)15(16(3)4)11(2)10-17/h7-9,11,15,17H,6,10H2,1-5H3
InChIKeyDADSMNFJLJQXNH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.49
Rot. Bonds6

About 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol

3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 83942689) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID83942689
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
SMILESCCc1ccc(OC)c(C(C(C)CO)N(C)C)c1
InChIInChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(9-12)15(16(3)4)11(2)10-17/h7-9,11,15,17H,6,10H2,1-5H3
InChIKeyDADSMNFJLJQXNH-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83926821
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
1-(5-chloro-2-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904651
(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 66730972
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 83935223
2-(5-ethyl-2-methoxyphenyl)-2-piperidin-4-ylethanol
CID 116825161
3-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]propane-1,2-diol
CID 115122416
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol (CID 83942689) is 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol is CCc1ccc(OC)c(C(C(C)CO)N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is DADSMNFJLJQXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12-7-8-14(18-5)13(9-12)15(16(3)4)11(2)10-17/h7-9,11,15,17H,6,10H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol?
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83942689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).