1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

C16H25NO2 — CID 65211332

IUPAC1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCNCc1cc(C)c(OCC2(O)CCCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-14(10-17-3)9-13(2)15(12)19-11-16(18)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyOXWJTYVNWDWMPE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds5

About 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol

1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (PubChem CID 65211332) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
PubChem CID65211332
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
SMILESCNCc1cc(C)c(OCC2(O)CCCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-12-8-14(10-17-3)9-13(2)15(12)19-11-16(18)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3
InChIKeyOXWJTYVNWDWMPE-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
1-(4-but-3-ynoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 60877811
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60879861
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
1-[[5-(methylaminomethyl)-2-nitrophenoxy]methyl]cyclohexan-1-ol
CID 65208374
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486985
1-(bromomethyl)-1-[(2,4,6-trimethylphenoxy)methyl]cycloheptane
CID 65010061
1-[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 112588003

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol (CID 65211332) is 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is CNCc1cc(C)c(OCC2(O)CCCC2)c(C)c1.
What is the InChIKey of 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is OXWJTYVNWDWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-14(10-17-3)9-13(2)15(12)19-11-16(18)6-4-5-7-16/h8-9,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol?
1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-dimethyl-4-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65211332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).