4-(3,3-dimethylbut-1-en-2-ylamino)phenol

C12H17NO — CID 130441332

IUPAC4-(3,3-dimethylbut-1-en-2-ylamino)phenol
SMILESC=C(Nc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-9(12(2,3)4)13-10-5-7-11(14)8-6-10/h5-8,13-14H,1H2,2-4H3
InChIKeyINWKFHPTIRWFLB-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.36
Rot. Bonds2

About 4-(3,3-dimethylbut-1-en-2-ylamino)phenol

4-(3,3-dimethylbut-1-en-2-ylamino)phenol (PubChem CID 130441332) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(3,3-dimethylbut-1-en-2-ylamino)phenol.

Molecular Properties

Compound Name4-(3,3-dimethylbut-1-en-2-ylamino)phenol
PubChem CID130441332
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(3,3-dimethylbut-1-en-2-ylamino)phenol
SMILESC=C(Nc1ccc(O)cc1)C(C)(C)C
InChIInChI=1S/C12H17NO/c1-9(12(2,3)4)13-10-5-7-11(14)8-6-10/h5-8,13-14H,1H2,2-4H3
InChIKeyINWKFHPTIRWFLB-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-[[(Z)-but-2-en-2-yl]amino]phenol
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CID 173295896
N-(4-hydroxyphenyl)-2-oxoacetamide
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N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbut-1-en-2-ylamino)phenol?
The IUPAC name of 4-(3,3-dimethylbut-1-en-2-ylamino)phenol (CID 130441332) is 4-(3,3-dimethylbut-1-en-2-ylamino)phenol.
What is the SMILES notation for 4-(3,3-dimethylbut-1-en-2-ylamino)phenol?
The canonical SMILES for 4-(3,3-dimethylbut-1-en-2-ylamino)phenol is C=C(Nc1ccc(O)cc1)C(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbut-1-en-2-ylamino)phenol?
The InChIKey is INWKFHPTIRWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(12(2,3)4)13-10-5-7-11(14)8-6-10/h5-8,13-14H,1H2,2-4H3.
What are the key properties of 4-(3,3-dimethylbut-1-en-2-ylamino)phenol?
4-(3,3-dimethylbut-1-en-2-ylamino)phenol has a molecular weight of 191.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbut-1-en-2-ylamino)phenol is sourced from PubChem (CID 130441332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).