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

C12H19ClN2O — CID 82981146

IUPAC2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-14(2)6-7-15(3)9-10-4-5-12(16)11(13)8-10/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyAPLUXDQSIGOUQO-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.04
Rot. Bonds5

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

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (PubChem CID 82981146) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
PubChem CID82981146
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-14(2)6-7-15(3)9-10-4-5-12(16)11(13)8-10/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyAPLUXDQSIGOUQO-UHFFFAOYSA-N
XLogP2.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
2-[(3-chloro-4-hydroxyphenyl)methyl-methylamino]-N-methylacetamide
CID 82977249
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
2-chloro-4-[[3-(dimethylamino)propyl-[(4-methoxyphenyl)methyl]amino]methyl]phenol
CID 142098899
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]-(3-fluoro-4-hydroxyphenyl)methanone
CID 90671407
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (CID 82981146) is 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is CN(C)CCN(C)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The InChIKey is APLUXDQSIGOUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-14(2)6-7-15(3)9-10-4-5-12(16)11(13)8-10/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol has a molecular weight of 242.75 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 82981146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).