3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol

C16H27NO3 — CID 114491680

IUPAC3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
SMILESCCOc1cccc(CNC)c1OCC(O)(CC)CC
InChIInChI=1S/C16H27NO3/c1-5-16(18,6-2)12-20-15-13(11-17-4)9-8-10-14(15)19-7-3/h8-10,17-18H,5-7,11-12H2,1-4H3
InChIKeyOMTWWFNFDAJBMD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.73
Rot. Bonds9

About 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol

3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol (PubChem CID 114491680) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
PubChem CID114491680
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
SMILESCCOc1cccc(CNC)c1OCC(O)(CC)CC
InChIInChI=1S/C16H27NO3/c1-5-16(18,6-2)12-20-15-13(11-17-4)9-8-10-14(15)19-7-3/h8-10,17-18H,5-7,11-12H2,1-4H3
InChIKeyOMTWWFNFDAJBMD-UHFFFAOYSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
3-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]pentan-3-ol
CID 114494393
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
1-[2-[(5-bromothiophen-2-yl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882456

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol (CID 114491680) is 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol is CCOc1cccc(CNC)c1OCC(O)(CC)CC.
What is the InChIKey of 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol?
The InChIKey is OMTWWFNFDAJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-16(18,6-2)12-20-15-13(11-17-4)9-8-10-14(15)19-7-3/h8-10,17-18H,5-7,11-12H2,1-4H3.
What are the key properties of 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol?
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol has a molecular weight of 281.40 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114491680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).