[3-(aminomethyl)phenyl]methanamine;boric acid

C8H15BN2O3 — CID 175765748

IUPAC[3-(aminomethyl)phenyl]methanamine;boric acid
SMILESNCc1cccc(CN)c1.OB(O)O
InChIInChI=1S/C8H12N2.BH3O3/c9-5-7-2-1-3-8(4-7)6-10;2-1(3)4/h1-4H,5-6,9-10H2;2-4H
InChIKeyMIWZDIAUWXOOFF-UHFFFAOYSA-N
MW198.03 g/mol
LogP-1.45
Rot. Bonds2

About [3-(aminomethyl)phenyl]methanamine;boric acid

[3-(aminomethyl)phenyl]methanamine;boric acid (PubChem CID 175765748) has the molecular formula C8H15BN2O3 and a molecular weight of 198.03 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]methanamine;boric acid.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]methanamine;boric acid
PubChem CID175765748
Molecular FormulaC8H15BN2O3
Molecular Weight198.03 g/mol
Exact Mass198.12
IUPAC Name[3-(aminomethyl)phenyl]methanamine;boric acid
SMILESNCc1cccc(CN)c1.OB(O)O
InChIInChI=1S/C8H12N2.BH3O3/c9-5-7-2-1-3-8(4-7)6-10;2-1(3)4/h1-4H,5-6,9-10H2;2-4H
InChIKeyMIWZDIAUWXOOFF-UHFFFAOYSA-N
XLogP-1.45
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.03
LogP ≤ 5-1.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
[3-(bromomethyl)phenyl]methanamine
CID 67540206
[3-(aminomethyl)phenyl]methanamine;thiocyanic acid
CID 175054435
phenylmethanamine
CID 19864074
3-(aminomethyl)aniline;dihydrochloride
CID 23346995
[3-(methylsulfanylmethyl)phenyl]methanamine
CID 59652232
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]methanamine;boric acid?
The IUPAC name of [3-(aminomethyl)phenyl]methanamine;boric acid (CID 175765748) is [3-(aminomethyl)phenyl]methanamine;boric acid.
What is the SMILES notation for [3-(aminomethyl)phenyl]methanamine;boric acid?
The canonical SMILES for [3-(aminomethyl)phenyl]methanamine;boric acid is NCc1cccc(CN)c1.OB(O)O.
What is the InChIKey of [3-(aminomethyl)phenyl]methanamine;boric acid?
The InChIKey is MIWZDIAUWXOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.BH3O3/c9-5-7-2-1-3-8(4-7)6-10;2-1(3)4/h1-4H,5-6,9-10H2;2-4H.
What are the key properties of [3-(aminomethyl)phenyl]methanamine;boric acid?
[3-(aminomethyl)phenyl]methanamine;boric acid has a molecular weight of 198.03 g/mol, XLogP of -1.45, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]methanamine;boric acid is sourced from PubChem (CID 175765748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).