4-[1-(methylamino)ethenylamino]phenol

C9H12N2O — CID 143751730

IUPAC4-[1-(methylamino)ethenylamino]phenol
SMILESC=C(NC)Nc1ccc(O)cc1
InChIInChI=1S/C9H12N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h3-6,10-12H,1H2,2H3
InChIKeyASCZXVOLLFDBMV-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.49
Rot. Bonds3

About 4-[1-(methylamino)ethenylamino]phenol

4-[1-(methylamino)ethenylamino]phenol (PubChem CID 143751730) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-[1-(methylamino)ethenylamino]phenol.

Molecular Properties

Compound Name4-[1-(methylamino)ethenylamino]phenol
PubChem CID143751730
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-[1-(methylamino)ethenylamino]phenol
SMILESC=C(NC)Nc1ccc(O)cc1
InChIInChI=1S/C9H12N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h3-6,10-12H,1H2,2H3
InChIKeyASCZXVOLLFDBMV-UHFFFAOYSA-N
XLogP1.49
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.49
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

4-(3,3-dimethylbut-1-en-2-ylamino)phenol
CID 130441332
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
4-[[(Z)-but-2-en-2-yl]amino]phenol
CID 143786933
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
CID 59006143
CID 59006143
3-(4-hydroxyanilino)-3-oxoprop-1-ene-2-sulfonic acid
CID 175409791

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethenylamino]phenol?
The IUPAC name of 4-[1-(methylamino)ethenylamino]phenol (CID 143751730) is 4-[1-(methylamino)ethenylamino]phenol.
What is the SMILES notation for 4-[1-(methylamino)ethenylamino]phenol?
The canonical SMILES for 4-[1-(methylamino)ethenylamino]phenol is C=C(NC)Nc1ccc(O)cc1.
What is the InChIKey of 4-[1-(methylamino)ethenylamino]phenol?
The InChIKey is ASCZXVOLLFDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(10-2)11-8-3-5-9(12)6-4-8/h3-6,10-12H,1H2,2H3.
What are the key properties of 4-[1-(methylamino)ethenylamino]phenol?
4-[1-(methylamino)ethenylamino]phenol has a molecular weight of 164.21 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethenylamino]phenol is sourced from PubChem (CID 143751730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).