2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol

C13H16N2O — CID 79101039

IUPAC2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol
SMILESCC(O)(CNn1cccc1)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-13(16,12-7-3-2-4-8-12)11-14-15-9-5-6-10-15/h2-10,14,16H,11H2,1H3
InChIKeyPRYAIDDMYISQOW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.94
Rot. Bonds4

About 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol

2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol (PubChem CID 79101039) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol
PubChem CID79101039
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol
SMILESCC(O)(CNn1cccc1)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-13(16,12-7-3-2-4-8-12)11-14-15-9-5-6-10-15/h2-10,14,16H,11H2,1H3
InChIKeyPRYAIDDMYISQOW-UHFFFAOYSA-N
XLogP1.94
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
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(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
CID 111696288
2-phenyl-1-(2-propylanilino)propan-2-ol
CID 62375007
2-[(2-hydroxy-2-phenylpropyl)amino]benzonitrile
CID 55068379
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol?
The IUPAC name of 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol (CID 79101039) is 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol.
What is the SMILES notation for 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol?
The canonical SMILES for 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol is CC(O)(CNn1cccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol?
The InChIKey is PRYAIDDMYISQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(16,12-7-3-2-4-8-12)11-14-15-9-5-6-10-15/h2-10,14,16H,11H2,1H3.
What are the key properties of 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol?
2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(pyrrol-1-ylamino)propan-2-ol is sourced from PubChem (CID 79101039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).