3-(3-methylbut-2-enylamino)phenol

C11H15NO — CID 130657504

IUPAC3-(3-methylbut-2-enylamino)phenol
SMILESCC(C)=CCNc1cccc(O)c1
InChIInChI=1S/C11H15NO/c1-9(2)6-7-12-10-4-3-5-11(13)8-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyIKZOJPURTDIQIZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.77
Rot. Bonds3

About 3-(3-methylbut-2-enylamino)phenol

3-(3-methylbut-2-enylamino)phenol (PubChem CID 130657504) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3-methylbut-2-enylamino)phenol.

Molecular Properties

Compound Name3-(3-methylbut-2-enylamino)phenol
PubChem CID130657504
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(3-methylbut-2-enylamino)phenol
SMILESCC(C)=CCNc1cccc(O)c1
InChIInChI=1S/C11H15NO/c1-9(2)6-7-12-10-4-3-5-11(13)8-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyIKZOJPURTDIQIZ-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-methylbut-2-enylamino)phenyl]methanol
CID 131065051
3-(3-methylbut-2-enylamino)benzoic acid
CID 25107134
3-(ethylamino)phenol
CID 578991
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377
[1-(3-hydroxyanilino)-2-methylpropan-2-yl] acetate
CID 174500848
3-(prop-1-en-2-ylamino)phenol
CID 143950523
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
3-[(2,4,6-trimethylphenyl)methylamino]phenol
CID 28722294
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enylamino)phenol?
The IUPAC name of 3-(3-methylbut-2-enylamino)phenol (CID 130657504) is 3-(3-methylbut-2-enylamino)phenol.
What is the SMILES notation for 3-(3-methylbut-2-enylamino)phenol?
The canonical SMILES for 3-(3-methylbut-2-enylamino)phenol is CC(C)=CCNc1cccc(O)c1.
What is the InChIKey of 3-(3-methylbut-2-enylamino)phenol?
The InChIKey is IKZOJPURTDIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)6-7-12-10-4-3-5-11(13)8-10/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enylamino)phenol?
3-(3-methylbut-2-enylamino)phenol has a molecular weight of 177.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enylamino)phenol is sourced from PubChem (CID 130657504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).