2-(5-amino-1-ethylpyrrol-3-yl)phenol

C12H14N2O — CID 117222432

IUPAC2-(5-amino-1-ethylpyrrol-3-yl)phenol
SMILESCCn1cc(-c2ccccc2O)cc1N
InChIInChI=1S/C12H14N2O/c1-2-14-8-9(7-12(14)13)10-5-3-4-6-11(10)15/h3-8,15H,2,13H2,1H3
InChIKeyXHISDQNVVIUEAA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.46
Rot. Bonds2

About 2-(5-amino-1-ethylpyrrol-3-yl)phenol

2-(5-amino-1-ethylpyrrol-3-yl)phenol (PubChem CID 117222432) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(5-amino-1-ethylpyrrol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-1-ethylpyrrol-3-yl)phenol
PubChem CID117222432
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(5-amino-1-ethylpyrrol-3-yl)phenol
SMILESCCn1cc(-c2ccccc2O)cc1N
InChIInChI=1S/C12H14N2O/c1-2-14-8-9(7-12(14)13)10-5-3-4-6-11(10)15/h3-8,15H,2,13H2,1H3
InChIKeyXHISDQNVVIUEAA-UHFFFAOYSA-N
XLogP2.46
TPSA51.18 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-ethyl-4-(2-hydroxyphenyl)pyrrole-2-carboxylate
CID 117222442
1-ethyl-4-methylpyrrol-2-amine
CID 26987823
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
2-(3-ethylimidazol-4-yl)phenol
CID 67055650
2-[4-[4-(2-hydroxyphenyl)phenyl]phenyl]phenol
CID 122655811
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
CID 102334535
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
2-(3-amino-4-bromophenyl)phenol
CID 115049178
5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222147
5-amino-2-(2-hydroxyphenyl)phenol
CID 22023425
2-(3-methylphenyl)phenol
CID 11206198
5-(2-hydroxyphenyl)-2-methylphenol
CID 53218780

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-ethylpyrrol-3-yl)phenol?
The IUPAC name of 2-(5-amino-1-ethylpyrrol-3-yl)phenol (CID 117222432) is 2-(5-amino-1-ethylpyrrol-3-yl)phenol.
What is the SMILES notation for 2-(5-amino-1-ethylpyrrol-3-yl)phenol?
The canonical SMILES for 2-(5-amino-1-ethylpyrrol-3-yl)phenol is CCn1cc(-c2ccccc2O)cc1N.
What is the InChIKey of 2-(5-amino-1-ethylpyrrol-3-yl)phenol?
The InChIKey is XHISDQNVVIUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-14-8-9(7-12(14)13)10-5-3-4-6-11(10)15/h3-8,15H,2,13H2,1H3.
What are the key properties of 2-(5-amino-1-ethylpyrrol-3-yl)phenol?
2-(5-amino-1-ethylpyrrol-3-yl)phenol has a molecular weight of 202.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-ethylpyrrol-3-yl)phenol is sourced from PubChem (CID 117222432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).