1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H24N2O2 — CID 79101281

IUPAC1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCc1ccc(C)n1NCC(O)COC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10-6-7-11(2)15(10)14-8-12(16)9-17-13(3,4)5/h6-7,12,14,16H,8-9H2,1-5H3
InChIKeyZYNTYGUNJCOWGQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.82
Rot. Bonds5

About 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 79101281) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID79101281
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCc1ccc(C)n1NCC(O)COC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10-6-7-11(2)15(10)14-8-12(16)9-17-13(3,4)5/h6-7,12,14,16H,8-9H2,1-5H3
InChIKeyZYNTYGUNJCOWGQ-UHFFFAOYSA-N
XLogP1.82
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 79101367
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 79108175
1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol
CID 79100841
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60896653
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 79099917
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 79101281) is 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is Cc1ccc(C)n1NCC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is ZYNTYGUNJCOWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-6-7-11(2)15(10)14-8-12(16)9-17-13(3,4)5/h6-7,12,14,16H,8-9H2,1-5H3.
What are the key properties of 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 79101281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).