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

C11H18N2O — CID 105448262

IUPAC4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)N(C)C
InChIInChI=1S/C11H18N2O/c1-12-8-11(13(2)3)9-4-6-10(14)7-5-9/h4-7,11-12,14H,8H2,1-3H3
InChIKeyPIMDVEYAYDOHDO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.21
Rot. Bonds4

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

4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol (PubChem CID 105448262) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
PubChem CID105448262
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol
SMILESCNCC(c1ccc(O)cc1)N(C)C
InChIInChI=1S/C11H18N2O/c1-12-8-11(13(2)3)9-4-6-10(14)7-5-9/h4-7,11-12,14H,8H2,1-3H3
InChIKeyPIMDVEYAYDOHDO-UHFFFAOYSA-N
XLogP1.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 22692516
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate
CID 145029330
1-[4-(benzenesulfonyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 145029124
4-[(1R)-1-methoxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 112500437
4-[(1R)-1-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]phenol
CID 70258580
4-[1-(dimethylamino)ethyl]phenol
CID 3029886
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol?
The IUPAC name of 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol (CID 105448262) is 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol is CNCC(c1ccc(O)cc1)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol?
The InChIKey is PIMDVEYAYDOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-8-11(13(2)3)9-4-6-10(14)7-5-9/h4-7,11-12,14H,8H2,1-3H3.
What are the key properties of 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol?
4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 105448262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).