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

C15H28N2O3 — CID 79100841

IUPAC1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol
SMILESCCCCOCCOCC(O)CNn1c(C)ccc1C
InChIInChI=1S/C15H28N2O3/c1-4-5-8-19-9-10-20-12-15(18)11-16-17-13(2)6-7-14(17)3/h6-7,15-16,18H,4-5,8-12H2,1-3H3
InChIKeyGSUYOBAGDVMLHJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.84
Rot. Bonds11

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

1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol (PubChem CID 79100841) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol
PubChem CID79100841
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol
SMILESCCCCOCCOCC(O)CNn1c(C)ccc1C
InChIInChI=1S/C15H28N2O3/c1-4-5-8-19-9-10-20-12-15(18)11-16-17-13(2)6-7-14(17)3/h6-7,15-16,18H,4-5,8-12H2,1-3H3
InChIKeyGSUYOBAGDVMLHJ-UHFFFAOYSA-N
XLogP1.84
TPSA55.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(2-butoxyethoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474085
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol (CID 79100841) is 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol is CCCCOCCOCC(O)CNn1c(C)ccc1C.
What is the InChIKey of 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol?
The InChIKey is GSUYOBAGDVMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-8-19-9-10-20-12-15(18)11-16-17-13(2)6-7-14(17)3/h6-7,15-16,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol?
1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol is sourced from PubChem (CID 79100841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).