2-aminoethoxyboronic acid;1,1'-biphenyl

C14H18BNO3 — CID 174484703

IUPAC2-aminoethoxyboronic acid;1,1'-biphenyl
SMILESNCCOB(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H8BNO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-1-2-7-3(5)6/h1-10H;5-6H,1-2,4H2
InChIKeyMXXQVGJKOFZRSG-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.28
Rot. Bonds4

About 2-aminoethoxyboronic acid;1,1'-biphenyl

2-aminoethoxyboronic acid;1,1'-biphenyl (PubChem CID 174484703) has the molecular formula C14H18BNO3 and a molecular weight of 259.11 g/mol. Its IUPAC name is 2-aminoethoxyboronic acid;1,1'-biphenyl.

Molecular Properties

Compound Name2-aminoethoxyboronic acid;1,1'-biphenyl
PubChem CID174484703
Molecular FormulaC14H18BNO3
Molecular Weight259.11 g/mol
Exact Mass259.14
IUPAC Name2-aminoethoxyboronic acid;1,1'-biphenyl
SMILESNCCOB(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H8BNO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-1-2-7-3(5)6/h1-10H;5-6H,1-2,4H2
InChIKeyMXXQVGJKOFZRSG-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[phenyl(phosphanyl)boranyl]oxyethanamine
CID 140793311
azulene;boric acid
CID 175218967
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
benzene;tris(1,1'-biphenyl)
CID 162155747
lithium;hydride;4,4,4-triphenylbutoxyboronic acid
CID 173103949
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine
CID 58414178
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
CID 175290890
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane
CID 162089768
azane;(2,3,4-triphenylphenyl)methoxyboronic acid
CID 67925015
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of 2-aminoethoxyboronic acid;1,1'-biphenyl?
The IUPAC name of 2-aminoethoxyboronic acid;1,1'-biphenyl (CID 174484703) is 2-aminoethoxyboronic acid;1,1'-biphenyl.
What is the SMILES notation for 2-aminoethoxyboronic acid;1,1'-biphenyl?
The canonical SMILES for 2-aminoethoxyboronic acid;1,1'-biphenyl is NCCOB(O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-aminoethoxyboronic acid;1,1'-biphenyl?
The InChIKey is MXXQVGJKOFZRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H8BNO3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;4-1-2-7-3(5)6/h1-10H;5-6H,1-2,4H2.
What are the key properties of 2-aminoethoxyboronic acid;1,1'-biphenyl?
2-aminoethoxyboronic acid;1,1'-biphenyl has a molecular weight of 259.11 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethoxyboronic acid;1,1'-biphenyl is sourced from PubChem (CID 174484703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).