boric acid;2-ethyl-6-phenylaniline;methanol

C15H22BNO4 — CID 175445116

IUPACboric acid;2-ethyl-6-phenylaniline;methanol
SMILESCCc1cccc(-c2ccccc2)c1N.CO.OB(O)O
InChIInChI=1S/C14H15N.CH4O.BH3O3/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12;1-2;2-1(3)4/h3-10H,2,15H2,1H3;2H,1H3;2-4H
InChIKeyOBYHNGILFJGKJP-UHFFFAOYSA-N
MW291.16 g/mol
LogP1.05
Rot. Bonds2

About boric acid;2-ethyl-6-phenylaniline;methanol

boric acid;2-ethyl-6-phenylaniline;methanol (PubChem CID 175445116) has the molecular formula C15H22BNO4 and a molecular weight of 291.16 g/mol. Its IUPAC name is boric acid;2-ethyl-6-phenylaniline;methanol.

Molecular Properties

Compound Nameboric acid;2-ethyl-6-phenylaniline;methanol
PubChem CID175445116
Molecular FormulaC15H22BNO4
Molecular Weight291.16 g/mol
Exact Mass291.16
IUPAC Nameboric acid;2-ethyl-6-phenylaniline;methanol
SMILESCCc1cccc(-c2ccccc2)c1N.CO.OB(O)O
InChIInChI=1S/C14H15N.CH4O.BH3O3/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12;1-2;2-1(3)4/h3-10H,2,15H2,1H3;2H,1H3;2-4H
InChIKeyOBYHNGILFJGKJP-UHFFFAOYSA-N
XLogP1.05
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;2-ethyl-6-phenylaniline;methanol?
The IUPAC name of boric acid;2-ethyl-6-phenylaniline;methanol (CID 175445116) is boric acid;2-ethyl-6-phenylaniline;methanol.
What is the SMILES notation for boric acid;2-ethyl-6-phenylaniline;methanol?
The canonical SMILES for boric acid;2-ethyl-6-phenylaniline;methanol is CCc1cccc(-c2ccccc2)c1N.CO.OB(O)O.
What is the InChIKey of boric acid;2-ethyl-6-phenylaniline;methanol?
The InChIKey is OBYHNGILFJGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.CH4O.BH3O3/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12;1-2;2-1(3)4/h3-10H,2,15H2,1H3;2H,1H3;2-4H.
What are the key properties of boric acid;2-ethyl-6-phenylaniline;methanol?
boric acid;2-ethyl-6-phenylaniline;methanol has a molecular weight of 291.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-ethyl-6-phenylaniline;methanol is sourced from PubChem (CID 175445116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).