2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol

C14H20ClNO3 — CID 82977675

IUPAC2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C14H20ClNO3/c1-16(11-3-5-19-6-4-11)9-10-7-12(15)14(17)13(8-10)18-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyHJGWOTRAMFLGDO-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol

2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol (PubChem CID 82977675) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
PubChem CID82977675
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
SMILESCOc1cc(CN(C)C2CCOCC2)cc(Cl)c1O
InChIInChI=1S/C14H20ClNO3/c1-16(11-3-5-19-6-4-11)9-10-7-12(15)14(17)13(8-10)18-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyHJGWOTRAMFLGDO-UHFFFAOYSA-N
XLogP2.66
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
N'-hydroxy-2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 106789335
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977771
1-[4-methoxy-3-[[methyl(oxan-4-yl)amino]methyl]phenyl]ethanone
CID 43789493
2-chloro-4-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983112
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
4-[(R)-amino(oxan-4-yl)methyl]-2-chloro-6-methoxyphenol
CID 171251488
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol (CID 82977675) is 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol is COc1cc(CN(C)C2CCOCC2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol?
The InChIKey is HJGWOTRAMFLGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16(11-3-5-19-6-4-11)9-10-7-12(15)14(17)13(8-10)18-2/h7-8,11,17H,3-6,9H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol?
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol has a molecular weight of 285.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol is sourced from PubChem (CID 82977675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).