[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine

C16H12BrFN2O — CID 65201195

IUPAC[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Br)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H12BrFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeySGTCIZXZOVZFNM-UHFFFAOYSA-N
MW347.19 g/mol
LogP4.39
Rot. Bonds3

About [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine

[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine (PubChem CID 65201195) has the molecular formula C16H12BrFN2O and a molecular weight of 347.19 g/mol. Its IUPAC name is [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
PubChem CID65201195
Molecular FormulaC16H12BrFN2O
Molecular Weight347.19 g/mol
Exact Mass346.01
IUPAC Name[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Br)c(F)c2)c2ccccc2n1
InChIInChI=1S/C16H12BrFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2
InChIKeySGTCIZXZOVZFNM-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 82718575
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
[1-(4-bromo-3-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 65201053
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377590
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
4-(4-bromo-3-fluorophenoxy)quinoline
CID 65203118
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
CID 63377591
2-(4-bromo-3-fluorophenoxy)quinoline
CID 65203173
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
CID 107542699
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
CID 63445972

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine (CID 65201195) is [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine is NCc1cc(Oc2ccc(Br)c(F)c2)c2ccccc2n1.
What is the InChIKey of [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine?
The InChIKey is SGTCIZXZOVZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O/c17-13-6-5-11(8-14(13)18)21-16-7-10(9-19)20-15-4-2-1-3-12(15)16/h1-8H,9,19H2.
What are the key properties of [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine?
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine has a molecular weight of 347.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 65201195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).