8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline

C16H20BrNO — CID 65012115

IUPAC8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCC(CBr)C(C)C)c2n1
InChIInChI=1S/C16H20BrNO/c1-11(2)14(9-17)10-19-15-6-4-5-13-8-7-12(3)18-16(13)15/h4-8,11,14H,9-10H2,1-3H3
InChIKeyXPFDLVJYQUDHIT-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.59
Rot. Bonds5

About 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline

8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline (PubChem CID 65012115) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline
PubChem CID65012115
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCC(CBr)C(C)C)c2n1
InChIInChI=1S/C16H20BrNO/c1-11(2)14(9-17)10-19-15-6-4-5-13-8-7-12(3)18-16(13)15/h4-8,11,14H,9-10H2,1-3H3
InChIKeyXPFDLVJYQUDHIT-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.59
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

(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
CID 64900145
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282
6-(2-methylquinolin-8-yl)oxyhexan-3-amine
CID 106800887
2-[2-(bromomethyl)-3-methylbutoxy]naphthalene
CID 65012394
CID 20665518
CID 20665518
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-[2-(bromomethyl)-3-methylbutoxy]-1,4-difluorobenzene
CID 65011718
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532

Frequently Asked Questions

What is the IUPAC name of 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline?
The IUPAC name of 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline (CID 65012115) is 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline is Cc1ccc2cccc(OCC(CBr)C(C)C)c2n1.
What is the InChIKey of 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline?
The InChIKey is XPFDLVJYQUDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-11(2)14(9-17)10-19-15-6-4-5-13-8-7-12(3)18-16(13)15/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline?
8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline has a molecular weight of 322.25 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(bromomethyl)-3-methylbutoxy]-2-methylquinoline is sourced from PubChem (CID 65012115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).