5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol

C16H18N2O — CID 144639378

IUPAC5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol
SMILESC=C(Nc1ccc(N)cc1O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-13(7-10)12(3)18-15-5-4-14(17)9-16(15)19/h4-9,18-19H,3,17H2,1-2H3
InChIKeyGDAFWONGEBYFMI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.67
Rot. Bonds3

About 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol

5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol (PubChem CID 144639378) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol.

Molecular Properties

Compound Name5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol
PubChem CID144639378
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol
SMILESC=C(Nc1ccc(N)cc1O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-13(7-10)12(3)18-15-5-4-14(17)9-16(15)19/h4-9,18-19H,3,17H2,1-2H3
InChIKeyGDAFWONGEBYFMI-UHFFFAOYSA-N
XLogP3.67
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol?
The IUPAC name of 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol (CID 144639378) is 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol.
What is the SMILES notation for 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol?
The canonical SMILES for 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol is C=C(Nc1ccc(N)cc1O)c1cc(C)cc(C)c1.
What is the InChIKey of 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol?
The InChIKey is GDAFWONGEBYFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-11(2)8-13(7-10)12(3)18-15-5-4-14(17)9-16(15)19/h4-9,18-19H,3,17H2,1-2H3.
What are the key properties of 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol?
5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol has a molecular weight of 254.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(3,5-dimethylphenyl)ethenylamino]phenol is sourced from PubChem (CID 144639378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).