4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol

C13H22N2O2 — CID 113285683

IUPAC4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)CCCN)ccc1O
InChIInChI=1S/C13H22N2O2/c1-3-17-13-9-11(5-6-12(13)16)10-15(2)8-4-7-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3
InChIKeyZLVKGTUNIVHFFG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.57
Rot. Bonds7

About 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol

4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol (PubChem CID 113285683) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
PubChem CID113285683
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
SMILESCCOc1cc(CN(C)CCCN)ccc1O
InChIInChI=1S/C13H22N2O2/c1-3-17-13-9-11(5-6-12(13)16)10-15(2)8-4-7-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3
InChIKeyZLVKGTUNIVHFFG-UHFFFAOYSA-N
XLogP1.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-aminopropyl(methyl)amino]methyl]benzene-1,2-diol
CID 115318850
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
CID 84754903
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927

Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol?
The IUPAC name of 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol (CID 113285683) is 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol is CCOc1cc(CN(C)CCCN)ccc1O.
What is the InChIKey of 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol?
The InChIKey is ZLVKGTUNIVHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-17-13-9-11(5-6-12(13)16)10-15(2)8-4-7-14/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3.
What are the key properties of 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol?
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol is sourced from PubChem (CID 113285683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).