1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol

C15H23NO2 — CID 65208592

IUPAC1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCNCc1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-16-11-13-6-5-7-14(10-13)18-12-15(17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3
InChIKeyIZTDCTXBVWOPIZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.48
Rot. Bonds5

About 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol

1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208592) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208592
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCNCc1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-16-11-13-6-5-7-14(10-13)18-12-15(17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3
InChIKeyIZTDCTXBVWOPIZ-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
1-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208536
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol (CID 65208592) is 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol is CNCc1cccc(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is IZTDCTXBVWOPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-16-11-13-6-5-7-14(10-13)18-12-15(17)8-3-2-4-9-15/h5-7,10,16-17H,2-4,8-9,11-12H2,1H3.
What are the key properties of 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol?
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).