2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol

C17H22N2O2 — CID 43726584

IUPAC2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2ccccc2N(C)C)c1O
InChIInChI=1S/C17H22N2O2/c1-4-21-16-11-7-8-13(17(16)20)12-18-14-9-5-6-10-15(14)19(2)3/h5-11,18,20H,4,12H2,1-3H3
InChIKeyPATYOBLETQLIBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds6

About 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol

2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol (PubChem CID 43726584) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
PubChem CID43726584
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNc2ccccc2N(C)C)c1O
InChIInChI=1S/C17H22N2O2/c1-4-21-16-11-7-8-13(17(16)20)12-18-14-9-5-6-10-15(14)19(2)3/h5-11,18,20H,4,12H2,1-3H3
InChIKeyPATYOBLETQLIBZ-UHFFFAOYSA-N
XLogP3.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
2-[(3-bromo-2-methylanilino)methyl]-6-ethoxyphenol
CID 103818301
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 104954462
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
CID 106759471
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
2-ethoxy-6-[(3-iodoanilino)methyl]phenol
CID 28977257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol (CID 43726584) is 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol is CCOc1cccc(CNc2ccccc2N(C)C)c1O.
What is the InChIKey of 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol?
The InChIKey is PATYOBLETQLIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-16-11-7-8-13(17(16)20)12-18-14-9-5-6-10-15(14)19(2)3/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol?
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol has a molecular weight of 286.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol is sourced from PubChem (CID 43726584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).