(4-bromo-2-quinolin-3-yloxyphenyl)methanamine

C16H13BrN2O — CID 107386867

IUPAC(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
SMILESNCc1ccc(Br)cc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H13BrN2O/c17-13-6-5-12(9-18)16(8-13)20-14-7-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9,18H2
InChIKeyHZLLOZXCNSRMAX-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.25
Rot. Bonds3

About (4-bromo-2-quinolin-3-yloxyphenyl)methanamine

(4-bromo-2-quinolin-3-yloxyphenyl)methanamine (PubChem CID 107386867) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is (4-bromo-2-quinolin-3-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
PubChem CID107386867
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
SMILESNCc1ccc(Br)cc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H13BrN2O/c17-13-6-5-12(9-18)16(8-13)20-14-7-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9,18H2
InChIKeyHZLLOZXCNSRMAX-UHFFFAOYSA-N
XLogP4.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
3-[(5-bromo-2-pyridinyl)methoxy]quinoline
CID 107388127
3-[[5-(chloromethyl)-2-methyl-4-pyridinyl]oxy]quinoline
CID 107387701
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
[2-(2,4-dibromophenoxy)quinolin-3-yl]methanamine
CID 64718621
2-quinolin-3-yloxyethanamine
CID 84661473
3-(bromomethoxy)quinoline
CID 54277099
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-quinolin-3-yloxyphenyl)methanamine?
The IUPAC name of (4-bromo-2-quinolin-3-yloxyphenyl)methanamine (CID 107386867) is (4-bromo-2-quinolin-3-yloxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-quinolin-3-yloxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2-quinolin-3-yloxyphenyl)methanamine is NCc1ccc(Br)cc1Oc1cnc2ccccc2c1.
What is the InChIKey of (4-bromo-2-quinolin-3-yloxyphenyl)methanamine?
The InChIKey is HZLLOZXCNSRMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-6-5-12(9-18)16(8-13)20-14-7-11-3-1-2-4-15(11)19-10-14/h1-8,10H,9,18H2.
What are the key properties of (4-bromo-2-quinolin-3-yloxyphenyl)methanamine?
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine has a molecular weight of 329.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-quinolin-3-yloxyphenyl)methanamine is sourced from PubChem (CID 107386867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).