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

C15H17NO2 — CID 43196503

IUPAC2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
SMILESCc1ccc(NC(C)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)16-11(2)14-9-13(17)7-8-15(14)18/h3-9,11,16-18H,1-2H3
InChIKeyIWONGJXMIGPVSQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.58
Rot. Bonds3

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

2-[1-(4-methylanilino)ethyl]benzene-1,4-diol (PubChem CID 43196503) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
PubChem CID43196503
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
SMILESCc1ccc(NC(C)c2cc(O)ccc2O)cc1
InChIInChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)16-11(2)14-9-13(17)7-8-15(14)18/h3-9,11,16-18H,1-2H3
InChIKeyIWONGJXMIGPVSQ-UHFFFAOYSA-N
XLogP3.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[1-(4-chloroanilino)ethyl]benzene-1,4-diol
CID 43194306
2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
2-[1-(3,4,5-trifluoroanilino)ethyl]benzene-1,4-diol
CID 62809500
2-[1-(3,5-dichloro-4-hydroxyanilino)ethyl]benzene-1,4-diol
CID 107679453
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
2-[1-(4-propoxyanilino)ethyl]benzene-1,4-diol
CID 62329504
4-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43742646
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515
2-[1-(3-chloroanilino)ethyl]benzene-1,4-diol
CID 43194193
2-[1-(3-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43204592
2-[1-(4-bromo-2,6-dimethylanilino)ethyl]benzene-1,4-diol
CID 60946215
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol (CID 43196503) is 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol is Cc1ccc(NC(C)c2cc(O)ccc2O)cc1.
What is the InChIKey of 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol?
The InChIKey is IWONGJXMIGPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-3-5-12(6-4-10)16-11(2)14-9-13(17)7-8-15(14)18/h3-9,11,16-18H,1-2H3.
What are the key properties of 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol?
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol has a molecular weight of 243.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylanilino)ethyl]benzene-1,4-diol is sourced from PubChem (CID 43196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).