[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine

C16H12BrClN2O — CID 63377591

IUPAC[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)cc2Br)c2ccccc2n1
InChIInChI=1S/C16H12BrClN2O/c17-13-7-10(18)5-6-15(13)21-16-8-11(9-19)20-14-4-2-1-3-12(14)16/h1-8H,9,19H2
InChIKeyKGIVUJPHHYUXEB-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.90
Rot. Bonds3

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

[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine (PubChem CID 63377591) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
PubChem CID63377591
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2ccc(Cl)cc2Br)c2ccccc2n1
InChIInChI=1S/C16H12BrClN2O/c17-13-7-10(18)5-6-15(13)21-16-8-11(9-19)20-14-4-2-1-3-12(14)16/h1-8H,9,19H2
InChIKeyKGIVUJPHHYUXEB-UHFFFAOYSA-N
XLogP4.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
CID 63445972
[4-(4-bromo-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 65201195
[4-(3,4-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377726
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146
[4-(4-chloro-3-fluorophenoxy)quinolin-2-yl]methanamine
CID 82718575
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
4-(2-bromo-4-chlorophenoxy)-N-methylquinazolin-2-amine
CID 80874178
3-(2-bromo-4-chlorophenoxy)quinoxalin-2-amine
CID 102987884
[4-(3,4-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377590
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine (CID 63377591) is [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine is NCc1cc(Oc2ccc(Cl)cc2Br)c2ccccc2n1.
What is the InChIKey of [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine?
The InChIKey is KGIVUJPHHYUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-13-7-10(18)5-6-15(13)21-16-8-11(9-19)20-14-4-2-1-3-12(14)16/h1-8H,9,19H2.
What are the key properties of [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine?
[4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine has a molecular weight of 363.64 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-chlorophenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).