2-[3-(dibutylamino)phenyl]ethanol

C16H27NO — CID 101199746

IUPAC2-[3-(dibutylamino)phenyl]ethanol
SMILESCCCCN(CCCC)c1cccc(CCO)c1
InChIInChI=1S/C16H27NO/c1-3-5-11-17(12-6-4-2)16-9-7-8-15(14-16)10-13-18/h7-9,14,18H,3-6,10-13H2,1-2H3
InChIKeyKHZLNBDNCNATSC-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds9

About 2-[3-(dibutylamino)phenyl]ethanol

2-[3-(dibutylamino)phenyl]ethanol (PubChem CID 101199746) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[3-(dibutylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(dibutylamino)phenyl]ethanol
PubChem CID101199746
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[3-(dibutylamino)phenyl]ethanol
SMILESCCCCN(CCCC)c1cccc(CCO)c1
InChIInChI=1S/C16H27NO/c1-3-5-11-17(12-6-4-2)16-9-7-8-15(14-16)10-13-18/h7-9,14,18H,3-6,10-13H2,1-2H3
InChIKeyKHZLNBDNCNATSC-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-butyl-N-propylaniline
CID 143588323
2-(3-pentylphenyl)ethanol
CID 163236984
N,N-dibutyl-3-methylaniline
CID 15332677
3-(dioctylamino)phenol
CID 15734569
3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanenitrile
CID 54327955
2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 91344264
2-[[3-(dibutylamino)phenyl]methoxycarbonyl]-2-ethylbutanoic acid
CID 54443513
N,N-dibutylaniline;perchloric acid
CID 71443116
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
2-[3-(aminomethyl)-N-(2-hydroxyethyl)anilino]ethanol
CID 102813585
3-(dibutylamino)cyclohepta-2,4,6-trien-1-one
CID 21321486
N,N-dibutyl-3-ethenylaniline
CID 66742864

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dibutylamino)phenyl]ethanol?
The IUPAC name of 2-[3-(dibutylamino)phenyl]ethanol (CID 101199746) is 2-[3-(dibutylamino)phenyl]ethanol.
What is the SMILES notation for 2-[3-(dibutylamino)phenyl]ethanol?
The canonical SMILES for 2-[3-(dibutylamino)phenyl]ethanol is CCCCN(CCCC)c1cccc(CCO)c1.
What is the InChIKey of 2-[3-(dibutylamino)phenyl]ethanol?
The InChIKey is KHZLNBDNCNATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-11-17(12-6-4-2)16-9-7-8-15(14-16)10-13-18/h7-9,14,18H,3-6,10-13H2,1-2H3.
What are the key properties of 2-[3-(dibutylamino)phenyl]ethanol?
2-[3-(dibutylamino)phenyl]ethanol has a molecular weight of 249.40 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dibutylamino)phenyl]ethanol is sourced from PubChem (CID 101199746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).