2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol

C17H21NO3 — CID 43750383

IUPAC2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
SMILESCCOCc1ccccc1NC(C)c1cc(O)ccc1O
InChIInChI=1S/C17H21NO3/c1-3-21-11-13-6-4-5-7-16(13)18-12(2)15-10-14(19)8-9-17(15)20/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyNZFRNJKJKXUBKA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol

2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol (PubChem CID 43750383) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
PubChem CID43750383
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
SMILESCCOCc1ccccc1NC(C)c1cc(O)ccc1O
InChIInChI=1S/C17H21NO3/c1-3-21-11-13-6-4-5-7-16(13)18-12(2)15-10-14(19)8-9-17(15)20/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyNZFRNJKJKXUBKA-UHFFFAOYSA-N
XLogP3.81
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
2-[1-[2-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
2-[1-(2-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43192467
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
CID 43750243
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633
2-[1-(2-tert-butylanilino)ethyl]benzene-1,4-diol
CID 43682928
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
2-[1-[3-bromo-2-(methoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 61167159
2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-(ethoxymethyl)aniline
CID 43792105
2-[1-[(2-chloro-3-pyridinyl)amino]ethyl]benzene-1,4-diol
CID 43689977

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol (CID 43750383) is 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol is CCOCc1ccccc1NC(C)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol?
The InChIKey is NZFRNJKJKXUBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-21-11-13-6-4-5-7-16(13)18-12(2)15-10-14(19)8-9-17(15)20/h4-10,12,18-20H,3,11H2,1-2H3.
What are the key properties of 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol?
2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol has a molecular weight of 287.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 43750383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).