3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane

C20H37NO2 — CID 142251041

IUPAC3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
SMILESCCC.CN(C)CC1CCCCC1c1cccc(O)c1.COC
InChIInChI=1S/C15H23NO.C3H8.C2H6O/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12;2*1-3-2/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyISJZSHKLWZYXFU-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.91
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane

3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane (PubChem CID 142251041) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
PubChem CID142251041
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane
SMILESCCC.CN(C)CC1CCCCC1c1cccc(O)c1.COC
InChIInChI=1S/C15H23NO.C3H8.C2H6O/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12;2*1-3-2/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyISJZSHKLWZYXFU-UHFFFAOYSA-N
XLogP4.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium
CID 58810692
[2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium;methane;hydrochloride
CID 158588851
(E)-4-[3-[2-[(dimethylamino)methyl]cyclohexyl]phenoxy]-4-oxobut-2-enoic acid
CID 67132875
benzene;3-[3-[(dimethylamino)methyl]-1-hexylpiperidin-4-yl]phenol
CID 174897850
[3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenyl] 2-methylpropyl carbonate
CID 22883940
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
methyl 3-[(E)-[(3R,4S)-4-[(dimethylamino)methyl]-3-(3-hydroxyphenyl)cyclohexylidene]methyl]benzoate
CID 131724278
1-[(1R,2S)-2-(5-methoxy-3-pyridinyl)cyclooctyl]-N,N-dimethylmethanamine
CID 69223517
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
cis-(3R,4R)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)cyclohexan-1-one
CID 142655738

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane?
The IUPAC name of 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane (CID 142251041) is 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane is CCC.CN(C)CC1CCCCC1c1cccc(O)c1.COC.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane?
The InChIKey is ISJZSHKLWZYXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C3H8.C2H6O/c1-16(2)11-13-6-3-4-9-15(13)12-7-5-8-14(17)10-12;2*1-3-2/h5,7-8,10,13,15,17H,3-4,6,9,11H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane?
3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane has a molecular weight of 323.52 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]cyclohexyl]phenol;methoxymethane;propane is sourced from PubChem (CID 142251041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).