2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol

C17H21NO2 — CID 21390166

IUPAC2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol
SMILESCCNc1ccccc1CCc1cc(O)cc(C)c1O
InChIInChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-13(16)8-9-14-11-15(19)10-12(2)17(14)20/h4-7,10-11,18-20H,3,8-9H2,1-2H3
InChIKeyNAFGVXGADFIAHQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol

2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol (PubChem CID 21390166) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol
PubChem CID21390166
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol
SMILESCCNc1ccccc1CCc1cc(O)cc(C)c1O
InChIInChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-13(16)8-9-14-11-15(19)10-12(2)17(14)20/h4-7,10-11,18-20H,3,8-9H2,1-2H3
InChIKeyNAFGVXGADFIAHQ-UHFFFAOYSA-N
XLogP3.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-propylbenzene-1,4-diol
CID 11708116
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
4-(ethylamino)-3-methylphenol
CID 21118573
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
CID 175798397
CID 175798397
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
3-(ethylamino)benzene-1,2-diol
CID 69118528
2,4-dichloro-6-[(2-propylanilino)methyl]phenol
CID 43687415
potassium;3-(ethylamino)-4-methylphenol;hydride
CID 175099519
N-[(3-fluoro-4-methylphenyl)methyl]-2-propylaniline
CID 63645034
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
3-(ethylamino)-2,6-dimethylphenol
CID 43741904

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol?
The IUPAC name of 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol (CID 21390166) is 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol.
What is the SMILES notation for 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol?
The canonical SMILES for 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol is CCNc1ccccc1CCc1cc(O)cc(C)c1O.
What is the InChIKey of 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol?
The InChIKey is NAFGVXGADFIAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-13(16)8-9-14-11-15(19)10-12(2)17(14)20/h4-7,10-11,18-20H,3,8-9H2,1-2H3.
What are the key properties of 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol?
2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol has a molecular weight of 271.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol is sourced from PubChem (CID 21390166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).