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

C12H20N2O — CID 3702824

IUPAC4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H20N2O/c1-13(2)8-9-14(3)10-11-4-6-12(15)7-5-11/h4-7,15H,8-10H2,1-3H3
InChIKeyVJSIVBLIHWLSIO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds5

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

4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (PubChem CID 3702824) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
PubChem CID3702824
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H20N2O/c1-13(2)8-9-14(3)10-11-4-6-12(15)7-5-11/h4-7,15H,8-10H2,1-3H3
InChIKeyVJSIVBLIHWLSIO-UHFFFAOYSA-N
XLogP1.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (CID 3702824) is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is CN(C)CCN(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The InChIKey is VJSIVBLIHWLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13(2)8-9-14(3)10-11-4-6-12(15)7-5-11/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol has a molecular weight of 208.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 3702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).