2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol

C13H22N2O2 — CID 16775145

IUPAC2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCN(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(14-7-8-15(2)3)12-9-11(17-4)5-6-13(12)16/h5-6,9-10,14,16H,7-8H2,1-4H3
InChIKeyOKQWPOYVZWLUOK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds6

About 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol

2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol (PubChem CID 16775145) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
PubChem CID16775145
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCN(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(14-7-8-15(2)3)12-9-11(17-4)5-6-13(12)16/h5-6,9-10,14,16H,7-8H2,1-4H3
InChIKeyOKQWPOYVZWLUOK-UHFFFAOYSA-N
XLogP1.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methoxyphenol
CID 104582210
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-4-methoxyphenol
CID 104582333
4-methoxy-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63827299
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol (CID 16775145) is 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCCN(C)C)c1.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol?
The InChIKey is OKQWPOYVZWLUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(14-7-8-15(2)3)12-9-11(17-4)5-6-13(12)16/h5-6,9-10,14,16H,7-8H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol?
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 16775145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).