3-(2-amino-1-pyrrol-1-ylethyl)phenol

C12H14N2O — CID 82021308

IUPAC3-(2-amino-1-pyrrol-1-ylethyl)phenol
SMILESNCC(c1cccc(O)c1)n1cccc1
InChIInChI=1S/C12H14N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h1-8,12,15H,9,13H2
InChIKeyBYWVPAQXVUWRTM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-amino-1-pyrrol-1-ylethyl)phenol

3-(2-amino-1-pyrrol-1-ylethyl)phenol (PubChem CID 82021308) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(2-amino-1-pyrrol-1-ylethyl)phenol.

Molecular Properties

Compound Name3-(2-amino-1-pyrrol-1-ylethyl)phenol
PubChem CID82021308
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(2-amino-1-pyrrol-1-ylethyl)phenol
SMILESNCC(c1cccc(O)c1)n1cccc1
InChIInChI=1S/C12H14N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h1-8,12,15H,9,13H2
InChIKeyBYWVPAQXVUWRTM-UHFFFAOYSA-N
XLogP1.74
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-pyrrol-1-ylethanamine
CID 63763733
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
CID 25267770
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
2-pyrrol-1-yl-2-thiophen-2-ylethanamine
CID 55262597
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
3-(2-amino-1-hydroxyethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25268111

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-pyrrol-1-ylethyl)phenol?
The IUPAC name of 3-(2-amino-1-pyrrol-1-ylethyl)phenol (CID 82021308) is 3-(2-amino-1-pyrrol-1-ylethyl)phenol.
What is the SMILES notation for 3-(2-amino-1-pyrrol-1-ylethyl)phenol?
The canonical SMILES for 3-(2-amino-1-pyrrol-1-ylethyl)phenol is NCC(c1cccc(O)c1)n1cccc1.
What is the InChIKey of 3-(2-amino-1-pyrrol-1-ylethyl)phenol?
The InChIKey is BYWVPAQXVUWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h1-8,12,15H,9,13H2.
What are the key properties of 3-(2-amino-1-pyrrol-1-ylethyl)phenol?
3-(2-amino-1-pyrrol-1-ylethyl)phenol has a molecular weight of 202.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-pyrrol-1-ylethyl)phenol is sourced from PubChem (CID 82021308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).