1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol

C17H27NO3 — CID 65208536

IUPAC1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CNC)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C17H27NO3/c1-3-20-16-11-14(12-18-2)7-8-15(16)21-13-17(19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyDGFAZYVQUMNGBN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.88
Rot. Bonds7

About 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol

1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208536) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208536
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCCOc1cc(CNC)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C17H27NO3/c1-3-20-16-11-14(12-18-2)7-8-15(16)21-13-17(19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3
InChIKeyDGFAZYVQUMNGBN-UHFFFAOYSA-N
XLogP2.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(methylaminomethyl)-2-nitrophenoxy]methyl]cyclohexan-1-ol
CID 65208374
3-ethoxy-4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213657
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
1-[[5-(aminomethyl)-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208640
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol (CID 65208536) is 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol is CCOc1cc(CNC)ccc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is DGFAZYVQUMNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-20-16-11-14(12-18-2)7-8-15(16)21-13-17(19)9-5-4-6-10-17/h7-8,11,18-19H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).