1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol

C16H25NO2 — CID 65208480

IUPAC1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCNC(C)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(17-2)14-7-6-8-15(11-14)19-12-16(18)9-4-3-5-10-16/h6-8,11,13,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyACBVSKZNXUDWIP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.04
Rot. Bonds5

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

1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208480) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208480
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCNC(C)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13(17-2)14-7-6-8-15(11-14)19-12-16(18)9-4-3-5-10-16/h6-8,11,13,17-18H,3-5,9-10,12H2,1-2H3
InChIKeyACBVSKZNXUDWIP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
CID 153216457

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208480) is 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is CNC(C)c1cccc(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is ACBVSKZNXUDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(17-2)14-7-6-8-15(11-14)19-12-16(18)9-4-3-5-10-16/h6-8,11,13,17-18H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).