4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol

C17H21NO2 — CID 60924783

IUPAC4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1cc(C)c(NC(C)c2ccc(O)cc2O)c(C)c1
InChIInChI=1S/C17H21NO2/c1-10-7-11(2)17(12(3)8-10)18-13(4)15-6-5-14(19)9-16(15)20/h5-9,13,18-20H,1-4H3
InChIKeyGIDRQYGDJOJLQS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.20
Rot. Bonds3

About 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol

4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol (PubChem CID 60924783) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
PubChem CID60924783
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol
SMILESCc1cc(C)c(NC(C)c2ccc(O)cc2O)c(C)c1
InChIInChI=1S/C17H21NO2/c1-10-7-11(2)17(12(3)8-10)18-13(4)15-6-5-14(19)9-16(15)20/h5-9,13,18-20H,1-4H3
InChIKeyGIDRQYGDJOJLQS-UHFFFAOYSA-N
XLogP4.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215
4-[1-(5-chloro-2-methylanilino)ethyl]benzene-1,3-diol
CID 43189464
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
4-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]benzene-1,3-diol
CID 104722788
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 82963536
4-[1-(3,5-dichloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107572336
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
CID 43540011
4-[1-(2,3,5-trifluoroanilino)ethyl]benzene-1,3-diol
CID 62811107
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol (CID 60924783) is 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol is Cc1cc(C)c(NC(C)c2ccc(O)cc2O)c(C)c1.
What is the InChIKey of 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol?
The InChIKey is GIDRQYGDJOJLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-7-11(2)17(12(3)8-10)18-13(4)15-6-5-14(19)9-16(15)20/h5-9,13,18-20H,1-4H3.
What are the key properties of 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol?
4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol has a molecular weight of 271.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,6-trimethylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 60924783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).