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

C16H12BrFN2 — CID 107598558

IUPAC2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cccc(Br)c1NCc1ccnc2ccccc12
InChIInChI=1S/C16H12BrFN2/c17-13-5-3-6-14(18)16(13)20-10-11-8-9-19-15-7-2-1-4-12(11)15/h1-9,20H,10H2
InChIKeyASXNFMVFJTYAMX-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.75
Rot. Bonds3

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

2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline (PubChem CID 107598558) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
PubChem CID107598558
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC Name2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
SMILESFc1cccc(Br)c1NCc1ccnc2ccccc12
InChIInChI=1S/C16H12BrFN2/c17-13-5-3-6-14(18)16(13)20-10-11-8-9-19-15-7-2-1-4-12(11)15/h1-9,20H,10H2
InChIKeyASXNFMVFJTYAMX-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-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
N-(quinolin-4-ylmethyl)aniline
CID 57199115
2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
CID 63868656
2-bromo-6-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 107598456

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline (CID 107598558) is 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline is Fc1cccc(Br)c1NCc1ccnc2ccccc12.
What is the InChIKey of 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is ASXNFMVFJTYAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-13-5-3-6-14(18)16(13)20-10-11-8-9-19-15-7-2-1-4-12(11)15/h1-9,20H,10H2.
What are the key properties of 2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline?
2-bromo-6-fluoro-N-(quinolin-4-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-6-fluoro-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 107598558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).