4-[(2,5-dimethylpyrrol-1-yl)amino]phenol

C12H14N2O — CID 13016220

IUPAC4-[(2,5-dimethylpyrrol-1-yl)amino]phenol
SMILESCc1ccc(C)n1Nc1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-4-10(2)14(9)13-11-5-7-12(15)8-6-11/h3-8,13,15H,1-2H3
InChIKeyYBIBSBKCWYOJEC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.69
Rot. Bonds2

About 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol

4-[(2,5-dimethylpyrrol-1-yl)amino]phenol (PubChem CID 13016220) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrol-1-yl)amino]phenol
PubChem CID13016220
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-[(2,5-dimethylpyrrol-1-yl)amino]phenol
SMILESCc1ccc(C)n1Nc1ccc(O)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-4-10(2)14(9)13-11-5-7-12(15)8-6-11/h3-8,13,15H,1-2H3
InChIKeyYBIBSBKCWYOJEC-UHFFFAOYSA-N
XLogP2.69
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenol
CID 1283353
4-(Pyrrol-1-ylamino)phenol
CID 457418
3-(Pyrrol-1-ylamino)phenol
CID 13016214
2-(Pyrrol-1-ylamino)phenol
CID 13016215
4-[Methyl(pyrrol-1-yl)amino]phenol
CID 13016224
4-(3,5-dimethyl-1H-pyrazol-1-yl)phenol
CID 13019914
1-Anilinopyrrole-2,5-diol
CID 54040048
4-(3-Methyl-5-trifluoromethyl-pyrazol-1-yl)-phenol
CID 66738948
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 151420861
4-(2,5-Dimethylpyrrol-1-yl)-2,3-difluorophenol
CID 166538138
4-(3,5-Dimethylpyrazol-1-yl)-2-fluorophenol
CID 172582982
4-(2,5-Dimethylpyrrol-1-yl)-2-fluorophenol
CID 64792616

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol?
The IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol (CID 13016220) is 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol.
What is the SMILES notation for 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol?
The canonical SMILES for 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol is Cc1ccc(C)n1Nc1ccc(O)cc1.
What is the InChIKey of 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol?
The InChIKey is YBIBSBKCWYOJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-4-10(2)14(9)13-11-5-7-12(15)8-6-11/h3-8,13,15H,1-2H3.
What are the key properties of 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol?
4-[(2,5-dimethylpyrrol-1-yl)amino]phenol has a molecular weight of 202.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrol-1-yl)amino]phenol is sourced from PubChem (CID 13016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).