1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol

C16H25NO3 — CID 82000030

IUPAC1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCNC(C)c1ccc(OC)cc1OCC1(O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12(17-2)14-7-6-13(19-3)10-15(14)20-11-16(18)8-4-5-9-16/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyXDADJNFXLHILCO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.66
Rot. Bonds6

About 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol

1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol (PubChem CID 82000030) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
PubChem CID82000030
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
SMILESCNC(C)c1ccc(OC)cc1OCC1(O)CCCC1
InChIInChI=1S/C16H25NO3/c1-12(17-2)14-7-6-13(19-3)10-15(14)20-11-16(18)8-4-5-9-16/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3
InChIKeyXDADJNFXLHILCO-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 82001257
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-[2-(2-ethylbutoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82927641
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-(2-butan-2-yloxy-4-methoxyphenyl)-N-methylethanamine
CID 82000203
1-[[5-bromo-2-[1-(propylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol
CID 102947830
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-methylethanamine
CID 82000485
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol (CID 82000030) is 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol is CNC(C)c1ccc(OC)cc1OCC1(O)CCCC1.
What is the InChIKey of 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
The InChIKey is XDADJNFXLHILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(17-2)14-7-6-13(19-3)10-15(14)20-11-16(18)8-4-5-9-16/h6-7,10,12,17-18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol?
1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]methyl]cyclopentan-1-ol is sourced from PubChem (CID 82000030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).