boric acid;1-(2-phenylphenyl)ethanamine

C14H18BNO3 — CID 175210638

IUPACboric acid;1-(2-phenylphenyl)ethanamine
SMILESCC(N)c1ccccc1-c1ccccc1.OB(O)O
InChIInChI=1S/C14H15N.BH3O3/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2-1(3)4/h2-11H,15H2,1H3;2-4H
InChIKeyDMBJWSRKURZLDG-UHFFFAOYSA-N
MW259.11 g/mol
LogP1.32
Rot. Bonds2

About boric acid;1-(2-phenylphenyl)ethanamine

boric acid;1-(2-phenylphenyl)ethanamine (PubChem CID 175210638) has the molecular formula C14H18BNO3 and a molecular weight of 259.11 g/mol. Its IUPAC name is boric acid;1-(2-phenylphenyl)ethanamine.

Molecular Properties

Compound Nameboric acid;1-(2-phenylphenyl)ethanamine
PubChem CID175210638
Molecular FormulaC14H18BNO3
Molecular Weight259.11 g/mol
Exact Mass259.14
IUPAC Nameboric acid;1-(2-phenylphenyl)ethanamine
SMILESCC(N)c1ccccc1-c1ccccc1.OB(O)O
InChIInChI=1S/C14H15N.BH3O3/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2-1(3)4/h2-11H,15H2,1H3;2-4H
InChIKeyDMBJWSRKURZLDG-UHFFFAOYSA-N
XLogP1.32
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-(4-chlorophenyl)phenyl]ethanamine
CID 93460583
1-[2-(3-methylphenyl)phenyl]ethanamine
CID 61033604
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
(1S)-1-(2-pyrimidin-5-ylphenyl)ethanamine
CID 94457197
1-[2-(3,5-dichlorophenyl)phenyl]ethanamine
CID 114879147
2-amino-3-(2-methyl-3-phenylphenyl)butanoic acid
CID 138535573
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
1-[2-(5-methyl-3-pyridinyl)phenyl]ethanamine
CID 115375072
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanamine
CID 54911668
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
1,2-bis(1-bromoethyl)-3-phenylbenzene
CID 175283947

Frequently Asked Questions

What is the IUPAC name of boric acid;1-(2-phenylphenyl)ethanamine?
The IUPAC name of boric acid;1-(2-phenylphenyl)ethanamine (CID 175210638) is boric acid;1-(2-phenylphenyl)ethanamine.
What is the SMILES notation for boric acid;1-(2-phenylphenyl)ethanamine?
The canonical SMILES for boric acid;1-(2-phenylphenyl)ethanamine is CC(N)c1ccccc1-c1ccccc1.OB(O)O.
What is the InChIKey of boric acid;1-(2-phenylphenyl)ethanamine?
The InChIKey is DMBJWSRKURZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.BH3O3/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12;2-1(3)4/h2-11H,15H2,1H3;2-4H.
What are the key properties of boric acid;1-(2-phenylphenyl)ethanamine?
boric acid;1-(2-phenylphenyl)ethanamine has a molecular weight of 259.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-(2-phenylphenyl)ethanamine is sourced from PubChem (CID 175210638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).