2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol

C13H21ClN2O2 — CID 82981074

IUPAC2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN(C)CCN(C)C)cc(Cl)c1O
InChIInChI=1S/C13H21ClN2O2/c1-15(2)5-6-16(3)9-10-7-11(14)13(17)12(8-10)18-4/h7-8,17H,5-6,9H2,1-4H3
InChIKeyCIKANEHFXSKHPL-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.05
Rot. Bonds6

About 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol (PubChem CID 82981074) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
PubChem CID82981074
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
SMILESCOc1cc(CN(C)CCN(C)C)cc(Cl)c1O
InChIInChI=1S/C13H21ClN2O2/c1-15(2)5-6-16(3)9-10-7-11(14)13(17)12(8-10)18-4/h7-8,17H,5-6,9H2,1-4H3
InChIKeyCIKANEHFXSKHPL-UHFFFAOYSA-N
XLogP2.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
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-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694
2-bromo-4-[[2-(dimethylamino)ethyl-propylamino]methyl]-6-methoxyphenol
CID 82978596
2-chloro-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
CID 82632368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol (CID 82981074) is 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol is COc1cc(CN(C)CCN(C)C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol?
The InChIKey is CIKANEHFXSKHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-15(2)5-6-16(3)9-10-7-11(14)13(17)12(8-10)18-4/h7-8,17H,5-6,9H2,1-4H3.
What are the key properties of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol?
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol has a molecular weight of 272.78 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 82981074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).