1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol

C13H24N2O2 — CID 103270503

IUPAC1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCn1ccc(CNCC(C)(O)CCOC)c1
InChIInChI=1S/C13H24N2O2/c1-4-15-7-5-12(10-15)9-14-11-13(2,16)6-8-17-3/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3
InChIKeyLPUZPOZETHJVQB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.39
Rot. Bonds8

About 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol

1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103270503) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103270503
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCn1ccc(CNCC(C)(O)CCOC)c1
InChIInChI=1S/C13H24N2O2/c1-4-15-7-5-12(10-15)9-14-11-13(2,16)6-8-17-3/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3
InChIKeyLPUZPOZETHJVQB-UHFFFAOYSA-N
XLogP1.39
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol (CID 103270503) is 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol is CCn1ccc(CNCC(C)(O)CCOC)c1.
What is the InChIKey of 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is LPUZPOZETHJVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15-7-5-12(10-15)9-14-11-13(2,16)6-8-17-3/h5,7,10,14,16H,4,6,8-9,11H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol?
1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103270503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).