[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine

C17H15BrN2O — CID 82804822

IUPAC[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c18-14-7-5-12(6-8-14)11-21-17-13(9-19)10-20-16-4-2-1-3-15(16)17/h1-8,10H,9,11,19H2
InChIKeyXUDBVZOXKYRUKP-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.03
Rot. Bonds4

About [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine

[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine (PubChem CID 82804822) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
PubChem CID82804822
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
SMILESNCc1cnc2ccccc2c1OCc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O/c18-14-7-5-12(6-8-14)11-21-17-13(9-19)10-20-16-4-2-1-3-15(16)17/h1-8,10H,9,11,19H2
InChIKeyXUDBVZOXKYRUKP-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine?
The IUPAC name of [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine (CID 82804822) is [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine.
What is the SMILES notation for [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine?
The canonical SMILES for [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine is NCc1cnc2ccccc2c1OCc1ccc(Br)cc1.
What is the InChIKey of [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine?
The InChIKey is XUDBVZOXKYRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-7-5-12(6-8-14)11-21-17-13(9-19)10-20-16-4-2-1-3-15(16)17/h1-8,10H,9,11,19H2.
What are the key properties of [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine?
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine has a molecular weight of 343.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine is sourced from PubChem (CID 82804822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).