[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid

C16H20BNO2 — CID 65488036

IUPAC[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
SMILESCN(CCc1ccccc1)Cc1ccccc1B(O)O
InChIInChI=1S/C16H20BNO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10,19-20H,11-13H2,1H3
InChIKeyGMGPULUFXQUIAB-UHFFFAOYSA-N
MW269.15 g/mol
LogP1.04
Rot. Bonds6

About [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid

[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid (PubChem CID 65488036) has the molecular formula C16H20BNO2 and a molecular weight of 269.15 g/mol. Its IUPAC name is [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
PubChem CID65488036
Molecular FormulaC16H20BNO2
Molecular Weight269.15 g/mol
Exact Mass269.16
IUPAC Name[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid
SMILESCN(CCc1ccccc1)Cc1ccccc1B(O)O
InChIInChI=1S/C16H20BNO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10,19-20H,11-13H2,1H3
InChIKeyGMGPULUFXQUIAB-UHFFFAOYSA-N
XLogP1.04
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 51.04
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

2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
[2-[[methyl(pentyl)amino]methyl]phenyl]boronic acid
CID 54970480
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
2-[2-[benzyl(methyl)amino]ethyl]phenol
CID 70480829
[2-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54971152
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
[2-[[2-[4-[(15,23-ditert-butyl-25,26,27-trimethoxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl)oxy]phenyl]ethyl-methylamino]methyl]phenyl]boronic acid
CID 102350389
3-[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 65488226

Frequently Asked Questions

What is the IUPAC name of [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid?
The IUPAC name of [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid (CID 65488036) is [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid.
What is the SMILES notation for [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid?
The canonical SMILES for [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid is CN(CCc1ccccc1)Cc1ccccc1B(O)O.
What is the InChIKey of [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid?
The InChIKey is GMGPULUFXQUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BNO2/c1-18(12-11-14-7-3-2-4-8-14)13-15-9-5-6-10-16(15)17(19)20/h2-10,19-20H,11-13H2,1H3.
What are the key properties of [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid?
[2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid has a molecular weight of 269.15 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(2-phenylethyl)amino]methyl]phenyl]boronic acid is sourced from PubChem (CID 65488036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).