2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol

C16H25NO4 — CID 115977495

IUPAC2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1ccc(CNC2CC(O)C2(C)C)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-16(2)12(8-13(16)18)17-9-10-6-7-11(19-3)15(21-5)14(10)20-4/h6-7,12-13,17-18H,8-9H2,1-5H3
InChIKeyAVKVBMVGXFKNQD-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.96
Rot. Bonds6

About 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol (PubChem CID 115977495) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
PubChem CID115977495
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1ccc(CNC2CC(O)C2(C)C)c(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-16(2)12(8-13(16)18)17-9-10-6-7-11(19-3)15(21-5)14(10)20-4/h6-7,12-13,17-18H,8-9H2,1-5H3
InChIKeyAVKVBMVGXFKNQD-UHFFFAOYSA-N
XLogP1.96
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-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

2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115976609
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628955
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 112633838
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629454
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]furan-2-carboxylic acid
CID 103267206

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol (CID 115977495) is 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol is COc1ccc(CNC2CC(O)C2(C)C)c(OC)c1OC.
What is the InChIKey of 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The InChIKey is AVKVBMVGXFKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2)12(8-13(16)18)17-9-10-6-7-11(19-3)15(21-5)14(10)20-4/h6-7,12-13,17-18H,8-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol has a molecular weight of 295.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 115977495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).