2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine

C17H15BrN2O — CID 107315464

IUPAC2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc2cccnc2c1
InChIInChI=1S/C17H15BrN2O/c18-14-5-3-13(7-8-19)17(10-14)21-15-6-4-12-2-1-9-20-16(12)11-15/h1-6,9-11H,7-8,19H2
InChIKeyZPKBCUAZXAIYAJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine

2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine (PubChem CID 107315464) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
PubChem CID107315464
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
SMILESNCCc1ccc(Br)cc1Oc1ccc2cccnc2c1
InChIInChI=1S/C17H15BrN2O/c18-14-5-3-13(7-8-19)17(10-14)21-15-6-4-12-2-1-9-20-16(12)11-15/h1-6,9-11H,7-8,19H2
InChIKeyZPKBCUAZXAIYAJ-UHFFFAOYSA-N
XLogP4.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
2-(4-methyl-3-quinolin-7-yloxyphenyl)ethanamine
CID 107315468
(4-bromo-2-naphthalen-2-yloxyphenyl)methanamine
CID 43364990
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
(2-quinolin-7-yloxypyrimidin-5-yl)methanamine
CID 107314265
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine (CID 107315464) is 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine is NCCc1ccc(Br)cc1Oc1ccc2cccnc2c1.
What is the InChIKey of 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine?
The InChIKey is ZPKBCUAZXAIYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-5-3-13(7-8-19)17(10-14)21-15-6-4-12-2-1-9-20-16(12)11-15/h1-6,9-11H,7-8,19H2.
What are the key properties of 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine?
2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine has a molecular weight of 343.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine is sourced from PubChem (CID 107315464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).