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

C12H18ClNO4S — CID 82983833

IUPAC2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCS(C)(=O)=O)cc(Cl)c1O
InChIInChI=1S/C12H18ClNO4S/c1-14(4-5-19(3,16)17)8-9-6-10(13)12(15)11(7-9)18-2/h6-7,15H,4-5,8H2,1-3H3
InChIKeyQVHSEYGCPVGLBB-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.53
Rot. Bonds6

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

2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol (PubChem CID 82983833) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
PubChem CID82983833
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCS(C)(=O)=O)cc(Cl)c1O
InChIInChI=1S/C12H18ClNO4S/c1-14(4-5-19(3,16)17)8-9-6-10(13)12(15)11(7-9)18-2/h6-7,15H,4-5,8H2,1-3H3
InChIKeyQVHSEYGCPVGLBB-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 80663541
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263145
4-(bromomethyl)-2-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 107084497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol (CID 82983833) is 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol is COc1cc(CN(C)CCS(C)(=O)=O)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
The InChIKey is QVHSEYGCPVGLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-14(4-5-19(3,16)17)8-9-6-10(13)12(15)11(7-9)18-2/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol?
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol has a molecular weight of 307.80 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol is sourced from PubChem (CID 82983833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).