2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol

C16H25NO4 — CID 115976609

IUPAC2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1cc(OC)c(CNC2CC(O)C2(C)C)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-16(2)14(8-15(16)18)17-9-11-12(20-4)6-10(19-3)7-13(11)21-5/h6-7,14-15,17-18H,8-9H2,1-5H3
InChIKeyNKEVBCPVMUALRJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.96
Rot. Bonds6

About 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol (PubChem CID 115976609) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
PubChem CID115976609
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol
SMILESCOc1cc(OC)c(CNC2CC(O)C2(C)C)c(OC)c1
InChIInChI=1S/C16H25NO4/c1-16(2)14(8-15(16)18)17-9-11-12(20-4)6-10(19-3)7-13(11)21-5/h6-7,14-15,17-18H,8-9H2,1-5H3
InChIKeyNKEVBCPVMUALRJ-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

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Related Compounds

Bis(2,4-dimethoxybenzyl)amine
CID 88696
2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
(2,4-Dimethoxybenzyl)(2-methylcyclohexyl)amine
CID 2852810
(s)-3-Hydroxy-2-[(2,4,6-trimethoxybenzyl)amino]propanoic acid
CID 86298750
[(2,4-Dimethoxyphenyl)methyl](ethyl)amine
CID 2250967
(2,4-Dimethoxybenzyl)(1-ethylpropyl)amine
CID 775201
[(2,4-Dimethoxyphenyl)methyl](methyl)amine
CID 2416536
Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine
CID 4719047
[(2,4-Dimethoxyphenyl)methyl][(4-methylphenyl)methyl]amine
CID 738609
(2R,3R,4R,5R)-2-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 44569923
3-(4-hydroxyphenyl)-6-[(propan-2-ylamino)methyl]-4H-chromen-7-ol
CID 122195514
6-[(heptylamino)methyl]-3-(4-hydroxyphenyl)-4H-chromen-7-ol
CID 122195515

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol (CID 115976609) is 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol is COc1cc(OC)c(CNC2CC(O)C2(C)C)c(OC)c1.
What is the InChIKey of 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
The InChIKey is NKEVBCPVMUALRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2)14(8-15(16)18)17-9-11-12(20-4)6-10(19-3)7-13(11)21-5/h6-7,14-15,17-18H,8-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2,4,6-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-[(2,4,6-trimethoxyphenyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 115976609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).