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

C16H27NO2 — CID 115134064

IUPAC3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1c(C)cc(CNC(C)(C)CCO)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-11-9-14(10-17-16(4,5)7-8-18)12(2)13(3)15(11)19-6/h9,17-18H,7-8,10H2,1-6H3
InChIKeyINHLOOYEFIGTIX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.87
Rot. Bonds6

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

3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 115134064) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
PubChem CID115134064
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1c(C)cc(CNC(C)(C)CCO)c(C)c1C
InChIInChI=1S/C16H27NO2/c1-11-9-14(10-17-16(4,5)7-8-18)12(2)13(3)15(11)19-6/h9,17-18H,7-8,10H2,1-6H3
InChIKeyINHLOOYEFIGTIX-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-2,3,5-trimethylphenyl)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

2-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-2-methylpropanoic acid
CID 115127967
3-(4-methoxy-2,3,5-trimethylanilino)-3-methylbutan-1-ol
CID 115133837
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655918
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
3-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)methylamino]butan-1-ol
CID 115134094
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115134092
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 111112626
3-[(3-ethoxy-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655973
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol (CID 115134064) is 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol is COc1c(C)cc(CNC(C)(C)CCO)c(C)c1C.
What is the InChIKey of 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is INHLOOYEFIGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11-9-14(10-17-16(4,5)7-8-18)12(2)13(3)15(11)19-6/h9,17-18H,7-8,10H2,1-6H3.
What are the key properties of 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol?
3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,3,5-trimethylphenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115134064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).