2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane

C16H21Br — CID 66050372

IUPAC2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane
SMILESCc1ccccc1CC1(CBr)CC2CCC1C2
InChIInChI=1S/C16H21Br/c1-12-4-2-3-5-14(12)10-16(11-17)9-13-6-7-15(16)8-13/h2-5,13,15H,6-11H2,1H3
InChIKeyPYAJRNOJAGTBFN-UHFFFAOYSA-N
MW293.25 g/mol
LogP4.74
Rot. Bonds3

About 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane

2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 66050372) has the molecular formula C16H21Br and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane
PubChem CID66050372
Molecular FormulaC16H21Br
Molecular Weight293.25 g/mol
Exact Mass292.08
IUPAC Name2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane
SMILESCc1ccccc1CC1(CBr)CC2CCC1C2
InChIInChI=1S/C16H21Br/c1-12-4-2-3-5-14(12)10-16(11-17)9-13-6-7-15(16)8-13/h2-5,13,15H,6-11H2,1H3
InChIKeyPYAJRNOJAGTBFN-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-2-[(2-methoxy-5-methylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66050817
2-(bromomethyl)-2-[(2,5-difluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66049494
2-(bromomethyl)-2-[(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 66047756
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2,3-dihydro-1H-indene
CID 66050152
N-methyl-1-[2-(naphthalen-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 63520754
5-[[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049499
1-[2-[(5-fluoro-2-methylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 105374902
[2-[(2,3-difluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62740993
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63520937
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
9-ethyl-9-[[2-[(9-ethylfluoren-9-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]fluorene
CID 123442423
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane (CID 66050372) is 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane is Cc1ccccc1CC1(CBr)CC2CCC1C2.
What is the InChIKey of 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is PYAJRNOJAGTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br/c1-12-4-2-3-5-14(12)10-16(11-17)9-13-6-7-15(16)8-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane?
2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 293.25 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-[(2-methylphenyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 66050372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).