4-[methyl(pyrrol-1-yl)amino]phenol

C11H12N2O — CID 13016224

IUPAC4-[methyl(pyrrol-1-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)n1cccc1
InChIInChI=1S/C11H12N2O/c1-12(13-8-2-3-9-13)10-4-6-11(14)7-5-10/h2-9,14H,1H3
InChIKeyYINRZNBZACXJJZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.09
Rot. Bonds2

About 4-[methyl(pyrrol-1-yl)amino]phenol

4-[methyl(pyrrol-1-yl)amino]phenol (PubChem CID 13016224) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[methyl(pyrrol-1-yl)amino]phenol.

Molecular Properties

Compound Name4-[methyl(pyrrol-1-yl)amino]phenol
PubChem CID13016224
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-[methyl(pyrrol-1-yl)amino]phenol
SMILESCN(c1ccc(O)cc1)n1cccc1
InChIInChI=1S/C11H12N2O/c1-12(13-8-2-3-9-13)10-4-6-11(14)7-5-10/h2-9,14H,1H3
InChIKeyYINRZNBZACXJJZ-UHFFFAOYSA-N
XLogP2.09
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyrrol-1-yl)amino]phenol?
The IUPAC name of 4-[methyl(pyrrol-1-yl)amino]phenol (CID 13016224) is 4-[methyl(pyrrol-1-yl)amino]phenol.
What is the SMILES notation for 4-[methyl(pyrrol-1-yl)amino]phenol?
The canonical SMILES for 4-[methyl(pyrrol-1-yl)amino]phenol is CN(c1ccc(O)cc1)n1cccc1.
What is the InChIKey of 4-[methyl(pyrrol-1-yl)amino]phenol?
The InChIKey is YINRZNBZACXJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-12(13-8-2-3-9-13)10-4-6-11(14)7-5-10/h2-9,14H,1H3.
What are the key properties of 4-[methyl(pyrrol-1-yl)amino]phenol?
4-[methyl(pyrrol-1-yl)amino]phenol has a molecular weight of 188.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyrrol-1-yl)amino]phenol is sourced from PubChem (CID 13016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).