6-[[2-(bromomethyl)phenoxy]methyl]quinoline

C17H14BrNO — CID 43324575

IUPAC6-[[2-(bromomethyl)phenoxy]methyl]quinoline
SMILESBrCc1ccccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H14BrNO/c18-11-15-4-1-2-6-17(15)20-12-13-7-8-16-14(10-13)5-3-9-19-16/h1-10H,11-12H2
InChIKeyBADJTIZFYPDUIC-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.71
Rot. Bonds4

About 6-[[2-(bromomethyl)phenoxy]methyl]quinoline

6-[[2-(bromomethyl)phenoxy]methyl]quinoline (PubChem CID 43324575) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-[[2-(bromomethyl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(bromomethyl)phenoxy]methyl]quinoline
PubChem CID43324575
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name6-[[2-(bromomethyl)phenoxy]methyl]quinoline
SMILESBrCc1ccccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H14BrNO/c18-11-15-4-1-2-6-17(15)20-12-13-7-8-16-14(10-13)5-3-9-19-16/h1-10H,11-12H2
InChIKeyBADJTIZFYPDUIC-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
CID 61380083
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067
6-(2-bromoethyl)quinoline
CID 68811984
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(bromomethyl)phenoxy]methyl]quinoline?
The IUPAC name of 6-[[2-(bromomethyl)phenoxy]methyl]quinoline (CID 43324575) is 6-[[2-(bromomethyl)phenoxy]methyl]quinoline.
What is the SMILES notation for 6-[[2-(bromomethyl)phenoxy]methyl]quinoline?
The canonical SMILES for 6-[[2-(bromomethyl)phenoxy]methyl]quinoline is BrCc1ccccc1OCc1ccc2ncccc2c1.
What is the InChIKey of 6-[[2-(bromomethyl)phenoxy]methyl]quinoline?
The InChIKey is BADJTIZFYPDUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-11-15-4-1-2-6-17(15)20-12-13-7-8-16-14(10-13)5-3-9-19-16/h1-10H,11-12H2.
What are the key properties of 6-[[2-(bromomethyl)phenoxy]methyl]quinoline?
6-[[2-(bromomethyl)phenoxy]methyl]quinoline has a molecular weight of 328.21 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(bromomethyl)phenoxy]methyl]quinoline is sourced from PubChem (CID 43324575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).