2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane

C17H24BNO — CID 162089768

IUPAC2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane
SMILESC.CCc1ccc(B(OCCN)c2ccccc2)cc1
InChIInChI=1S/C16H20BNO.CH4/c1-2-14-8-10-16(11-9-14)17(19-13-12-18)15-6-4-3-5-7-15;/h3-11H,2,12-13,18H2,1H3;1H4
InChIKeyZDLFVLUAADUOAD-UHFFFAOYSA-N
MW269.20 g/mol
LogP1.97
Rot. Bonds6

About 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane

2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane (PubChem CID 162089768) has the molecular formula C17H24BNO and a molecular weight of 269.20 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane.

Molecular Properties

Compound Name2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane
PubChem CID162089768
Molecular FormulaC17H24BNO
Molecular Weight269.20 g/mol
Exact Mass269.20
IUPAC Name2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane
SMILESC.CCc1ccc(B(OCCN)c2ccccc2)cc1
InChIInChI=1S/C16H20BNO.CH4/c1-2-14-8-10-16(11-9-14)17(19-13-12-18)15-6-4-3-5-7-15;/h3-11H,2,12-13,18H2,1H3;1H4
InChIKeyZDLFVLUAADUOAD-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine
CID 58414178
2-[[3-[[3-[2-aminoethoxy(phenyl)boranyl]phenyl]methoxymethyl]phenyl]-phenylboranyl]oxyethanamine;2-[[4-[[4-[2-aminoethoxy(phenyl)boranyl]phenyl]methoxymethyl]phenyl]-phenylboranyl]oxyethanamine
CID 158758252
2-[[4-[2-[4-[2-aminoethoxy(phenyl)boranyl]phenyl]-3-[2,3-bis[4-[2-aminoethoxy(phenyl)boranyl]phenyl]propoxy]propyl]phenyl]-phenylboranyl]oxyethanamine
CID 87259281
[(4-ethylphenyl)-phenylboranyl] 2,4-diaminobutanoate
CID 58414196
[(4-ethylphenyl)-phenylboranyl] 2,6-diaminohexanoate;methane
CID 157115587
2-[phenyl(phosphanyl)boranyl]oxyethanamine
CID 140793311
N'-[2-[(4-ethylphenyl)-(3-fluoro-4-methylphenyl)boranyl]oxyethyl]ethane-1,2-diamine
CID 58413908
2-[[4-[2-[1-[2-[2-aminoethoxy(phenyl)boranyl]phenyl]-3-[4-[2-aminoethoxy(phenyl)boranyl]phenyl]propan-2-yl]oxyethyl]phenyl]-phenylboranyl]oxyethanamine
CID 10169371
ethylcyclodecapentaene
CID 90861705
1-benzyl-4-ethylbenzene;methane
CID 144571765
tris(4-ethylphenyl)borane
CID 12610841
2-[7-azabicyclo[4.1.0]hepta-1,3-dien-3-yl(phenyl)boranyl]oxyethanamine
CID 134812691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane?
The IUPAC name of 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane (CID 162089768) is 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane.
What is the SMILES notation for 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane?
The canonical SMILES for 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane is C.CCc1ccc(B(OCCN)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane?
The InChIKey is ZDLFVLUAADUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BNO.CH4/c1-2-14-8-10-16(11-9-14)17(19-13-12-18)15-6-4-3-5-7-15;/h3-11H,2,12-13,18H2,1H3;1H4.
What are the key properties of 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane?
2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane has a molecular weight of 269.20 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)-phenylboranyl]oxyethanamine;methane is sourced from PubChem (CID 162089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).