1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol

C15H25NO2 — CID 116911342

IUPAC1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
SMILESCCOc1ccc(C(N(C)C)C(C)(C)O)cc1C
InChIInChI=1S/C15H25NO2/c1-7-18-13-9-8-12(10-11(13)2)14(16(5)6)15(3,4)17/h8-10,14,17H,7H2,1-6H3
InChIKeyHHBUOWMKQSRHJF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds5

About 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol

1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol (PubChem CID 116911342) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
PubChem CID116911342
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
SMILESCCOc1ccc(C(N(C)C)C(C)(C)O)cc1C
InChIInChI=1S/C15H25NO2/c1-7-18-13-9-8-12(10-11(13)2)14(16(5)6)15(3,4)17/h8-10,14,17H,7H2,1-6H3
InChIKeyHHBUOWMKQSRHJF-UHFFFAOYSA-N
XLogP2.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol (CID 116911342) is 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol is CCOc1ccc(C(N(C)C)C(C)(C)O)cc1C.
What is the InChIKey of 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is HHBUOWMKQSRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-18-13-9-8-12(10-11(13)2)14(16(5)6)15(3,4)17/h8-10,14,17H,7H2,1-6H3.
What are the key properties of 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol?
1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 116911342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).