2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane

C13H23BrO — CID 106459586

IUPAC2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
SMILESCCCOCCC1(CBr)CC2CCC1C2
InChIInChI=1S/C13H23BrO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10H2,1H3
InChIKeyIKYFNLVYVIPPAX-UHFFFAOYSA-N
MW275.23 g/mol
LogP4.00
Rot. Bonds6

About 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane

2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane (PubChem CID 106459586) has the molecular formula C13H23BrO and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
PubChem CID106459586
Molecular FormulaC13H23BrO
Molecular Weight275.23 g/mol
Exact Mass274.09
IUPAC Name2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
SMILESCCCOCCC1(CBr)CC2CCC1C2
InChIInChI=1S/C13H23BrO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10H2,1H3
InChIKeyIKYFNLVYVIPPAX-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106456768
[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66025394
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
2-(bromomethyl)-2-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane
CID 66049067
2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63520960
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
4-[2-[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole
CID 103018348
(2-propoxy-2-bicyclo[2.2.1]heptanyl)methanamine
CID 165495975
N-[[2-(2-methoxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62723961
2-(chloromethyl)-2-(4-methoxybutyl)bicyclo[2.2.1]heptane
CID 104650647
N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62723956

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane (CID 106459586) is 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane is CCCOCCC1(CBr)CC2CCC1C2.
What is the InChIKey of 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
The InChIKey is IKYFNLVYVIPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrO/c1-2-6-15-7-5-13(10-14)9-11-3-4-12(13)8-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane?
2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane has a molecular weight of 275.23 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 106459586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).