3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline

C17H15BrN2O — CID 43352151

IUPAC3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCc1ccc2cccc(OCc3c(N)cccc3Br)c2n1
InChIInChI=1S/C17H15BrN2O/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10,19H2,1H3
InChIKeyFADBBHJXMTXLIJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.47
Rot. Bonds3

About 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline

3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline (PubChem CID 43352151) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
PubChem CID43352151
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
SMILESCc1ccc2cccc(OCc3c(N)cccc3Br)c2n1
InChIInChI=1S/C17H15BrN2O/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10,19H2,1H3
InChIKeyFADBBHJXMTXLIJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140
8-[(5-bromothiophen-2-yl)methoxy]-2-methylquinoline
CID 63457720
8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
CID 104809806
3-bromo-2-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 102980462
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
3-bromo-2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline
CID 121367437
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 62464151
2-(2-methylquinolin-8-yl)oxyethanethioamide
CID 43352184
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
CID 65342646

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The IUPAC name of 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline (CID 43352151) is 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline.
What is the SMILES notation for 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The canonical SMILES for 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline is Cc1ccc2cccc(OCc3c(N)cccc3Br)c2n1.
What is the InChIKey of 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline?
The InChIKey is FADBBHJXMTXLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-8-9-12-4-2-7-16(17(12)20-11)21-10-13-14(18)5-3-6-15(13)19/h2-9H,10,19H2,1H3.
What are the key properties of 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline?
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline has a molecular weight of 343.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline is sourced from PubChem (CID 43352151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).