3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

C16H27NO2 — CID 115134136

IUPAC3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CN(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C16H27NO2/c1-12-10-15(19-6)13(2)9-14(12)11-17(5)16(3,4)7-8-18/h9-10,18H,7-8,11H2,1-6H3
InChIKeyXZANIPKSLSNUEM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds6

About 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol

3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115134136) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115134136
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCOc1cc(C)c(CN(C)C(C)(C)CCO)cc1C
InChIInChI=1S/C16H27NO2/c1-12-10-15(19-6)13(2)9-14(12)11-17(5)16(3,4)7-8-18/h9-10,18H,7-8,11H2,1-6H3
InChIKeyXZANIPKSLSNUEM-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044002
3-[(3,4-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134108
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methanol
CID 115229170
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115219485
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115134136) is 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is COc1cc(C)c(CN(C)C(C)(C)CCO)cc1C.
What is the InChIKey of 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is XZANIPKSLSNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-10-15(19-6)13(2)9-14(12)11-17(5)16(3,4)7-8-18/h9-10,18H,7-8,11H2,1-6H3.
What are the key properties of 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol?
3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,5-dimethylphenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).