2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline

C16H12BrFN2 — CID 28939327

IUPAC2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3ncccc3c2)c(Br)c1
InChIInChI=1S/C16H12BrFN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2
InChIKeyMVQKDLKUUWLWMP-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.75
Rot. Bonds3

About 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline

2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline (PubChem CID 28939327) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
PubChem CID28939327
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3ncccc3c2)c(Br)c1
InChIInChI=1S/C16H12BrFN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2
InChIKeyMVQKDLKUUWLWMP-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(quinolin-6-ylmethyl)aniline
CID 81263311
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
CID 53299083
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline?
The IUPAC name of 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline (CID 28939327) is 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline is Fc1ccc(NCc2ccc3ncccc3c2)c(Br)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline?
The InChIKey is MVQKDLKUUWLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-14-9-13(18)4-6-16(14)20-10-11-3-5-15-12(8-11)2-1-7-19-15/h1-9,20H,10H2.
What are the key properties of 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline?
2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline has a molecular weight of 331.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline is sourced from PubChem (CID 28939327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).