2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol

C15H25NO2 — CID 116913421

IUPAC2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(C(C(CO)C(C)C)N(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)14(10-17)15(16(3)4)12-6-8-13(18-5)9-7-12/h6-9,11,14-15,17H,10H2,1-5H3
InChIKeyUBBSJONQXKZYLL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.56
Rot. Bonds6

About 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol

2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116913421) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116913421
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol
SMILESCOc1ccc(C(C(CO)C(C)C)N(C)C)cc1
InChIInChI=1S/C15H25NO2/c1-11(2)14(10-17)15(16(3)4)12-6-8-13(18-5)9-7-12/h6-9,11,14-15,17H,10H2,1-5H3
InChIKeyUBBSJONQXKZYLL-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(4-methoxyphenyl)butyl]-methylamino]propan-1-ol
CID 104551290
1-(4-methoxyphenyl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55016192
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 53474824
(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691
(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97113683
4-(4-methoxyphenyl)pentane-1,2-diol
CID 83932154
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
(2S,3S)-3-(4-methoxy-N-methylanilino)-2-methyl-3-(4-nitrophenyl)propan-1-ol
CID 16735536
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol (CID 116913421) is 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol is COc1ccc(C(C(CO)C(C)C)N(C)C)cc1.
What is the InChIKey of 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is UBBSJONQXKZYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)14(10-17)15(16(3)4)12-6-8-13(18-5)9-7-12/h6-9,11,14-15,17H,10H2,1-5H3.
What are the key properties of 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol?
2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino-(4-methoxyphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116913421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).