4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol

C15H23NO3 — CID 54803377

IUPAC4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
SMILESOCCCCNc1ccccc1OCC1CCCO1
InChIInChI=1S/C15H23NO3/c17-10-4-3-9-16-14-7-1-2-8-15(14)19-12-13-6-5-11-18-13/h1-2,7-8,13,16-17H,3-6,9-12H2
InChIKeyGDBAZBXVMVTEFH-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds8

About 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol

4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol (PubChem CID 54803377) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
PubChem CID54803377
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
SMILESOCCCCNc1ccccc1OCC1CCCO1
InChIInChI=1S/C15H23NO3/c17-10-4-3-9-16-14-7-1-2-8-15(14)19-12-13-6-5-11-18-13/h1-2,7-8,13,16-17H,3-6,9-12H2
InChIKeyGDBAZBXVMVTEFH-UHFFFAOYSA-N
XLogP2.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54803011
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-benzyl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829468
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-methyl-2-[2-(oxolan-2-ylmethoxy)anilino]-N-phenylacetamide
CID 54829826
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-[2-(2,6-dimethylphenoxy)propyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54802930
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol?
The IUPAC name of 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol (CID 54803377) is 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol.
What is the SMILES notation for 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol?
The canonical SMILES for 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol is OCCCCNc1ccccc1OCC1CCCO1.
What is the InChIKey of 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol?
The InChIKey is GDBAZBXVMVTEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-10-4-3-9-16-14-7-1-2-8-15(14)19-12-13-6-5-11-18-13/h1-2,7-8,13,16-17H,3-6,9-12H2.
What are the key properties of 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol?
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol is sourced from PubChem (CID 54803377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).