4-(2,6-diethylanilino)butan-1-ol

C14H23NO — CID 62327687

IUPAC4-(2,6-diethylanilino)butan-1-ol
SMILESCCc1cccc(CC)c1NCCCCO
InChIInChI=1S/C14H23NO/c1-3-12-8-7-9-13(4-2)14(12)15-10-5-6-11-16/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyQURGGRAMAGUQCL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds7

About 4-(2,6-diethylanilino)butan-1-ol

4-(2,6-diethylanilino)butan-1-ol (PubChem CID 62327687) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2,6-diethylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2,6-diethylanilino)butan-1-ol
PubChem CID62327687
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2,6-diethylanilino)butan-1-ol
SMILESCCc1cccc(CC)c1NCCCCO
InChIInChI=1S/C14H23NO/c1-3-12-8-7-9-13(4-2)14(12)15-10-5-6-11-16/h7-9,15-16H,3-6,10-11H2,1-2H3
InChIKeyQURGGRAMAGUQCL-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-diethyl-N-octylaniline
CID 63491055
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
CID 18441585
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
2-(5-hydroxypentylamino)-3-methoxyphenol
CID 18326935
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
N'-[3-(2,6-diethylanilino)propyl]-N-(2,6-diethylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 18441336
2-[2-[(4-diphenylphosphanylphenyl)methyl]-6-ethylanilino]ethanol
CID 129187867
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethylanilino)butan-1-ol?
The IUPAC name of 4-(2,6-diethylanilino)butan-1-ol (CID 62327687) is 4-(2,6-diethylanilino)butan-1-ol.
What is the SMILES notation for 4-(2,6-diethylanilino)butan-1-ol?
The canonical SMILES for 4-(2,6-diethylanilino)butan-1-ol is CCc1cccc(CC)c1NCCCCO.
What is the InChIKey of 4-(2,6-diethylanilino)butan-1-ol?
The InChIKey is QURGGRAMAGUQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-12-8-7-9-13(4-2)14(12)15-10-5-6-11-16/h7-9,15-16H,3-6,10-11H2,1-2H3.
What are the key properties of 4-(2,6-diethylanilino)butan-1-ol?
4-(2,6-diethylanilino)butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethylanilino)butan-1-ol is sourced from PubChem (CID 62327687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).