2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol

C16H22N2O — CID 63182352

IUPAC2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
SMILESCc1cc(CNC(CO)c2ccccc2)c(C)n1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16(11-19)14-7-5-4-6-8-14/h4-9,16-17,19H,10-11H2,1-3H3
InChIKeyHJHYFCOZNKKJNW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.47
Rot. Bonds5

About 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol

2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol (PubChem CID 63182352) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
PubChem CID63182352
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
SMILESCc1cc(CNC(CO)c2ccccc2)c(C)n1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16(11-19)14-7-5-4-6-8-14/h4-9,16-17,19H,10-11H2,1-3H3
InChIKeyHJHYFCOZNKKJNW-UHFFFAOYSA-N
XLogP2.47
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol?
The IUPAC name of 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol (CID 63182352) is 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol.
What is the SMILES notation for 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol?
The canonical SMILES for 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol is Cc1cc(CNC(CO)c2ccccc2)c(C)n1C.
What is the InChIKey of 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol?
The InChIKey is HJHYFCOZNKKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16(11-19)14-7-5-4-6-8-14/h4-9,16-17,19H,10-11H2,1-3H3.
What are the key properties of 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol?
2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol has a molecular weight of 258.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol is sourced from PubChem (CID 63182352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).