3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline

C17H15BrN2O — CID 82860064

IUPAC3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
SMILESCOc1cc(Br)cc(NCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H15BrN2O/c1-21-16-9-13(18)8-15(10-16)19-11-14-7-6-12-4-2-3-5-17(12)20-14/h2-10,19H,11H2,1H3
InChIKeyJPLQMAXRUJCSSL-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.62
Rot. Bonds4

About 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline

3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline (PubChem CID 82860064) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
PubChem CID82860064
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
SMILESCOc1cc(Br)cc(NCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H15BrN2O/c1-21-16-9-13(18)8-15(10-16)19-11-14-7-6-12-4-2-3-5-17(12)20-14/h2-10,19H,11H2,1H3
InChIKeyJPLQMAXRUJCSSL-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663
3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
3-bromo-5-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 82858152
2-[2-[(3-bromo-5-methoxyanilino)methyl]phenyl]acetic acid
CID 82861170
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
4-bromo-2-chloro-N-(quinolin-2-ylmethyl)aniline
CID 43236879
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
3-bromo-N-[(4-iodophenyl)methyl]-5-methoxyaniline
CID 82868129

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline?
The IUPAC name of 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline (CID 82860064) is 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline is COc1cc(Br)cc(NCc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline?
The InChIKey is JPLQMAXRUJCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-21-16-9-13(18)8-15(10-16)19-11-14-7-6-12-4-2-3-5-17(12)20-14/h2-10,19H,11H2,1H3.
What are the key properties of 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline?
3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline has a molecular weight of 343.22 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline is sourced from PubChem (CID 82860064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).