[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol

C16H25NO2 — CID 116959056

IUPAC[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1c(C)cc(C)cc1OC)C1(CO)CCC1
InChIInChI=1S/C16H25NO2/c1-11-8-12(2)14(13(9-11)19-4)15(17-3)16(10-18)6-5-7-16/h8-9,15,17-18H,5-7,10H2,1-4H3
InChIKeyQIIBGHZSCMEVOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds5

About [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol

[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol (PubChem CID 116959056) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
PubChem CID116959056
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
SMILESCNC(c1c(C)cc(C)cc1OC)C1(CO)CCC1
InChIInChI=1S/C16H25NO2/c1-11-8-12(2)14(13(9-11)19-4)15(17-3)16(10-18)6-5-7-16/h8-9,15,17-18H,5-7,10H2,1-4H3
InChIKeyQIIBGHZSCMEVOS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol with MolForge

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Related Compounds

1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
[1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959013
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830788
1-[hydroxy-(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 106680334
(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680299
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol (CID 116959056) is [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol is CNC(c1c(C)cc(C)cc1OC)C1(CO)CCC1.
What is the InChIKey of [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol?
The InChIKey is QIIBGHZSCMEVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-12(2)14(13(9-11)19-4)15(17-3)16(10-18)6-5-7-16/h8-9,15,17-18H,5-7,10H2,1-4H3.
What are the key properties of [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol?
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116959056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).