[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid

C16H23BFNO2 — CID 63681815

IUPAC[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
SMILESCN(Cc1ccc(F)cc1B(O)O)CC1CC2CCC1C2
InChIInChI=1S/C16H23BFNO2/c1-19(10-14-7-11-2-3-12(14)6-11)9-13-4-5-15(18)8-16(13)17(20)21/h4-5,8,11-12,14,20-21H,2-3,6-7,9-10H2,1H3
InChIKeyGJJZBCAJNIPNCD-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.37
Rot. Bonds5

About [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid

[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid (PubChem CID 63681815) has the molecular formula C16H23BFNO2 and a molecular weight of 291.17 g/mol. Its IUPAC name is [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
PubChem CID63681815
Molecular FormulaC16H23BFNO2
Molecular Weight291.17 g/mol
Exact Mass291.18
IUPAC Name[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid
SMILESCN(Cc1ccc(F)cc1B(O)O)CC1CC2CCC1C2
InChIInChI=1S/C16H23BFNO2/c1-19(10-14-7-11-2-3-12(14)6-11)9-13-4-5-15(18)8-16(13)17(20)21/h4-5,8,11-12,14,20-21H,2-3,6-7,9-10H2,1H3
InChIKeyGJJZBCAJNIPNCD-UHFFFAOYSA-N
XLogP1.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.37
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

4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
3-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 63682953
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-methoxyphenol
CID 82981204
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 63684150
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 82981135
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
[5-fluoro-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]boronic acid
CID 54970873
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63685539
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 63683981
[2-[[di(propan-2-yl)amino]methyl]-5-fluorophenyl]boronic acid
CID 53216526
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471

Frequently Asked Questions

What is the IUPAC name of [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid?
The IUPAC name of [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid (CID 63681815) is [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid.
What is the SMILES notation for [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid?
The canonical SMILES for [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid is CN(Cc1ccc(F)cc1B(O)O)CC1CC2CCC1C2.
What is the InChIKey of [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid?
The InChIKey is GJJZBCAJNIPNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO2/c1-19(10-14-7-11-2-3-12(14)6-11)9-13-4-5-15(18)8-16(13)17(20)21/h4-5,8,11-12,14,20-21H,2-3,6-7,9-10H2,1H3.
What are the key properties of [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid?
[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid has a molecular weight of 291.17 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-5-fluorophenyl]boronic acid is sourced from PubChem (CID 63681815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).