(2-aminophenyl)-methylborinic acid

C7H10BNO — CID 145243646

IUPAC(2-aminophenyl)-methylborinic acid
SMILESCB(O)c1ccccc1N
InChIInChI=1S/C7H10BNO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,9H2,1H3
InChIKeyDYLDLKLBCJLUBB-UHFFFAOYSA-N
MW134.97 g/mol
LogP0.09
Rot. Bonds1

About (2-aminophenyl)-methylborinic acid

(2-aminophenyl)-methylborinic acid (PubChem CID 145243646) has the molecular formula C7H10BNO and a molecular weight of 134.97 g/mol. Its IUPAC name is (2-aminophenyl)-methylborinic acid.

Molecular Properties

Compound Name(2-aminophenyl)-methylborinic acid
PubChem CID145243646
Molecular FormulaC7H10BNO
Molecular Weight134.97 g/mol
Exact Mass135.09
IUPAC Name(2-aminophenyl)-methylborinic acid
SMILESCB(O)c1ccccc1N
InChIInChI=1S/C7H10BNO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,9H2,1H3
InChIKeyDYLDLKLBCJLUBB-UHFFFAOYSA-N
XLogP0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.97
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-methylborinic acid
CID 123369063
(3-amino-2-fluorophenyl)boronic acid;hydrochloride
CID 156808970
O-[aminooxy-(2-aminophenyl)boranyl]hydroxylamine;platinum
CID 175156732
[2-(2,2-dimethylpropyl)phenyl]-methylborinic acid
CID 90141675
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
CID 175394275
CID 175394275
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
[3-amino-2-(1,1,2,2,2-pentafluoroethyl)phenyl]boronic acid
CID 139652160
[3-amino-2-[chloro(difluoro)methyl]phenyl]boronic acid
CID 139621750
[2-(2-hydroxyphenyl)phenyl]boronic acid
CID 154274054

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-methylborinic acid?
The IUPAC name of (2-aminophenyl)-methylborinic acid (CID 145243646) is (2-aminophenyl)-methylborinic acid.
What is the SMILES notation for (2-aminophenyl)-methylborinic acid?
The canonical SMILES for (2-aminophenyl)-methylborinic acid is CB(O)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-methylborinic acid?
The InChIKey is DYLDLKLBCJLUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,9H2,1H3.
What are the key properties of (2-aminophenyl)-methylborinic acid?
(2-aminophenyl)-methylborinic acid has a molecular weight of 134.97 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-methylborinic acid is sourced from PubChem (CID 145243646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).