2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol

C16H20N2O2 — CID 107710686

IUPAC2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccccc1N(C)C)c1c(O)cccc1O
InChIInChI=1S/C16H20N2O2/c1-11(16-14(19)9-6-10-15(16)20)17-12-7-4-5-8-13(12)18(2)3/h4-11,17,19-20H,1-3H3
InChIKeyZGTKHIVEXQLTLU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol

2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol (PubChem CID 107710686) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
PubChem CID107710686
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccccc1N(C)C)c1c(O)cccc1O
InChIInChI=1S/C16H20N2O2/c1-11(16-14(19)9-6-10-15(16)20)17-12-7-4-5-8-13(12)18(2)3/h4-11,17,19-20H,1-3H3
InChIKeyZGTKHIVEXQLTLU-UHFFFAOYSA-N
XLogP3.34
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.34
H-Bond Donors ≤ 53
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-[5-bromo-2-(dimethylamino)anilino]ethyl]benzene-1,3-diol
CID 107710730
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 43726515
2-[2-(dimethylamino)anilino]-N-methylpropanamide
CID 106759655
2-[1-[5-chloro-2-(dimethylamino)anilino]ethyl]phenol
CID 43741167
1-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 82773923
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 533455
1-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43787276
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
2-[1-(2-chloro-5-fluoroanilino)ethyl]benzene-1,3-diol
CID 107711364

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol (CID 107710686) is 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol is CC(Nc1ccccc1N(C)C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
The InChIKey is ZGTKHIVEXQLTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(16-14(19)9-6-10-15(16)20)17-12-7-4-5-8-13(12)18(2)3/h4-11,17,19-20H,1-3H3.
What are the key properties of 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol?
2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol has a molecular weight of 272.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)anilino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107710686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).