4-[1-[2-(dimethylamino)propylamino]ethyl]phenol

C13H22N2O — CID 61043440

IUPAC4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
SMILESCC(NCC(C)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-10(15(3)4)9-14-11(2)12-5-7-13(16)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyYGHNBUZURMBKME-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.99
Rot. Bonds5

About 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol

4-[1-[2-(dimethylamino)propylamino]ethyl]phenol (PubChem CID 61043440) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
PubChem CID61043440
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
SMILESCC(NCC(C)N(C)C)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-10(15(3)4)9-14-11(2)12-5-7-13(16)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyYGHNBUZURMBKME-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-[1-[2-(dimethylamino)propylamino]ethyl]benzene-1,4-diol
CID 54913339
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
CID 62636904
4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
CID 105448262
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
4-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189482
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol?
The IUPAC name of 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol (CID 61043440) is 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol is CC(NCC(C)N(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol?
The InChIKey is YGHNBUZURMBKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(15(3)4)9-14-11(2)12-5-7-13(16)8-6-12/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol?
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol has a molecular weight of 222.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)propylamino]ethyl]phenol is sourced from PubChem (CID 61043440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).