1-diaminoboranyl-4-methoxybenzene

C7H11BN2O — CID 174068514

IUPAC1-diaminoboranyl-4-methoxybenzene
SMILESCOc1ccc(B(N)N)cc1
InChIInChI=1S/C7H11BN2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,9-10H2,1H3
InChIKeyZMIPTKUFSDNVHT-UHFFFAOYSA-N
MW149.99 g/mol
LogP-0.69
Rot. Bonds2

About 1-diaminoboranyl-4-methoxybenzene

1-diaminoboranyl-4-methoxybenzene (PubChem CID 174068514) has the molecular formula C7H11BN2O and a molecular weight of 149.99 g/mol. Its IUPAC name is 1-diaminoboranyl-4-methoxybenzene.

Molecular Properties

Compound Name1-diaminoboranyl-4-methoxybenzene
PubChem CID174068514
Molecular FormulaC7H11BN2O
Molecular Weight149.99 g/mol
Exact Mass150.10
IUPAC Name1-diaminoboranyl-4-methoxybenzene
SMILESCOc1ccc(B(N)N)cc1
InChIInChI=1S/C7H11BN2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,9-10H2,1H3
InChIKeyZMIPTKUFSDNVHT-UHFFFAOYSA-N
XLogP-0.69
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.99
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
methane;[4-(4-methoxyphenoxy)phenyl]-dimethylborane
CID 160959342
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
2,3-dimethylbutane-2,3-diol;(4-methoxyphenyl)boronic acid
CID 71116543
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
1-(113C)methoxy-4-methylbenzene
CID 166176950
CID 136674675
CID 136674675
O-[4-[1,2-bis(4-aminooxyphenyl)-2-(4-methoxyphenyl)ethyl]phenyl]hydroxylamine
CID 161215163
1-iodosyl-4-methoxybenzene
CID 3735400
CID 12607295
CID 12607295

Frequently Asked Questions

What is the IUPAC name of 1-diaminoboranyl-4-methoxybenzene?
The IUPAC name of 1-diaminoboranyl-4-methoxybenzene (CID 174068514) is 1-diaminoboranyl-4-methoxybenzene.
What is the SMILES notation for 1-diaminoboranyl-4-methoxybenzene?
The canonical SMILES for 1-diaminoboranyl-4-methoxybenzene is COc1ccc(B(N)N)cc1.
What is the InChIKey of 1-diaminoboranyl-4-methoxybenzene?
The InChIKey is ZMIPTKUFSDNVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BN2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,9-10H2,1H3.
What are the key properties of 1-diaminoboranyl-4-methoxybenzene?
1-diaminoboranyl-4-methoxybenzene has a molecular weight of 149.99 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diaminoboranyl-4-methoxybenzene is sourced from PubChem (CID 174068514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).