[4-(dibutylamino)phenyl]boronic acid

C14H24BNO2 — CID 130141719

IUPAC[4-(dibutylamino)phenyl]boronic acid
SMILESCCCCN(CCCC)c1ccc(B(O)O)cc1
InChIInChI=1S/C14H24BNO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10,17-18H,3-6,11-12H2,1-2H3
InChIKeyZJCKHUGDDQIJQT-UHFFFAOYSA-N
MW249.16 g/mol
LogP1.77
Rot. Bonds8

About [4-(dibutylamino)phenyl]boronic acid

[4-(dibutylamino)phenyl]boronic acid (PubChem CID 130141719) has the molecular formula C14H24BNO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is [4-(dibutylamino)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(dibutylamino)phenyl]boronic acid
PubChem CID130141719
Molecular FormulaC14H24BNO2
Molecular Weight249.16 g/mol
Exact Mass249.19
IUPAC Name[4-(dibutylamino)phenyl]boronic acid
SMILESCCCCN(CCCC)c1ccc(B(O)O)cc1
InChIInChI=1S/C14H24BNO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10,17-18H,3-6,11-12H2,1-2H3
InChIKeyZJCKHUGDDQIJQT-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(dibutylamino)phenyl]phenyl]boronic acid
CID 70971873
bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
CID 173423264
[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]boronic acid
CID 86093540
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N,N-dibutyl-4-fluoroaniline
CID 15399711
4-[nonyl(pentyl)amino]phenol
CID 174874757
1-N,1-N-dibutyl-4-N,4-N-bis[4-[butyl(4,4,4-trifluorobutyl)amino]phenyl]benzene-1,4-diamine
CID 58480980
4-(dibutylamino)benzaldehyde
CID 605391
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923

Frequently Asked Questions

What is the IUPAC name of [4-(dibutylamino)phenyl]boronic acid?
The IUPAC name of [4-(dibutylamino)phenyl]boronic acid (CID 130141719) is [4-(dibutylamino)phenyl]boronic acid.
What is the SMILES notation for [4-(dibutylamino)phenyl]boronic acid?
The canonical SMILES for [4-(dibutylamino)phenyl]boronic acid is CCCCN(CCCC)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-(dibutylamino)phenyl]boronic acid?
The InChIKey is ZJCKHUGDDQIJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BNO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10,17-18H,3-6,11-12H2,1-2H3.
What are the key properties of [4-(dibutylamino)phenyl]boronic acid?
[4-(dibutylamino)phenyl]boronic acid has a molecular weight of 249.16 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibutylamino)phenyl]boronic acid is sourced from PubChem (CID 130141719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).