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

C16H19NO2 — CID 43195633

IUPAC4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
SMILESCCc1ccccc1NC(C)c1ccc(O)cc1O
InChIInChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11(2)14-9-8-13(18)10-16(14)19/h4-11,17-19H,3H2,1-2H3
InChIKeyNDIIQUYTGKJABT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.83
Rot. Bonds4

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

4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol (PubChem CID 43195633) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
PubChem CID43195633
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
SMILESCCc1ccccc1NC(C)c1ccc(O)cc1O
InChIInChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11(2)14-9-8-13(18)10-16(14)19/h4-11,17-19H,3H2,1-2H3
InChIKeyNDIIQUYTGKJABT-UHFFFAOYSA-N
XLogP3.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.83
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-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 43750383
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
CID 102848911
4-[1-(2-methyl-3-nitroanilino)ethyl]benzene-1,3-diol
CID 43719688
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
2-[1-(2-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43192467
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol (CID 43195633) is 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol is CCc1ccccc1NC(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol?
The InChIKey is NDIIQUYTGKJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-12-6-4-5-7-15(12)17-11(2)14-9-8-13(18)10-16(14)19/h4-11,17-19H,3H2,1-2H3.
What are the key properties of 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol?
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol has a molecular weight of 257.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 43195633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).