4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol

C13H22N2O — CID 62636904

IUPAC4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
SMILESCCN(C)CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-4-15(3)10-9-14-11(2)12-5-7-13(16)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyNCFOJVCQUCLDND-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.99
Rot. Bonds6

About 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol

4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol (PubChem CID 62636904) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
PubChem CID62636904
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol
SMILESCCN(C)CCNC(C)c1ccc(O)cc1
InChIInChI=1S/C13H22N2O/c1-4-15(3)10-9-14-11(2)12-5-7-13(16)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyNCFOJVCQUCLDND-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635712
4-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenol
CID 55126811
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634676
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol?
The IUPAC name of 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol (CID 62636904) is 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol is CCN(C)CCNC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol?
The InChIKey is NCFOJVCQUCLDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(3)10-9-14-11(2)12-5-7-13(16)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol?
4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol has a molecular weight of 222.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]phenol is sourced from PubChem (CID 62636904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).