1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine

C12H20BNO2 — CID 13196740

IUPAC1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
SMILESCOB(OC)c1ccccc1C(C)N(C)C
InChIInChI=1S/C12H20BNO2/c1-10(14(2)3)11-8-6-7-9-12(11)13(15-4)16-5/h6-10H,1-5H3
InChIKeyUGPKKYOURRYWFU-UHFFFAOYSA-N
MW221.11 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine

1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine (PubChem CID 13196740) has the molecular formula C12H20BNO2 and a molecular weight of 221.11 g/mol. Its IUPAC name is 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
PubChem CID13196740
Molecular FormulaC12H20BNO2
Molecular Weight221.11 g/mol
Exact Mass221.16
IUPAC Name1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
SMILESCOB(OC)c1ccccc1C(C)N(C)C
InChIInChI=1S/C12H20BNO2/c1-10(14(2)3)11-8-6-7-9-12(11)13(15-4)16-5/h6-10H,1-5H3
InChIKeyUGPKKYOURRYWFU-UHFFFAOYSA-N
XLogP1.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine (CID 13196740) is 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine is COB(OC)c1ccccc1C(C)N(C)C.
What is the InChIKey of 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine?
The InChIKey is UGPKKYOURRYWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BNO2/c1-10(14(2)3)11-8-6-7-9-12(11)13(15-4)16-5/h6-10H,1-5H3.
What are the key properties of 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine?
1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine has a molecular weight of 221.11 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 13196740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).