[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine

C17H15BrN2O — CID 82785114

IUPAC[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
SMILESCc1ccc2cccc(Oc3ccc(CN)cc3Br)c2n1
InChIInChI=1S/C17H15BrN2O/c1-11-5-7-13-3-2-4-16(17(13)20-11)21-15-8-6-12(10-19)9-14(15)18/h2-9H,10,19H2,1H3
InChIKeyKZFPDNWBSVSVBN-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.56
Rot. Bonds3

About [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine

[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine (PubChem CID 82785114) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
PubChem CID82785114
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
SMILESCc1ccc2cccc(Oc3ccc(CN)cc3Br)c2n1
InChIInChI=1S/C17H15BrN2O/c1-11-5-7-13-3-2-4-16(17(13)20-11)21-15-8-6-12(10-19)9-14(15)18/h2-9H,10,19H2,1H3
InChIKeyKZFPDNWBSVSVBN-UHFFFAOYSA-N
XLogP4.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The IUPAC name of [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine (CID 82785114) is [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine is Cc1ccc2cccc(Oc3ccc(CN)cc3Br)c2n1.
What is the InChIKey of [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
The InChIKey is KZFPDNWBSVSVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-5-7-13-3-2-4-16(17(13)20-11)21-15-8-6-12(10-19)9-14(15)18/h2-9H,10,19H2,1H3.
What are the key properties of [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine?
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine has a molecular weight of 343.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine is sourced from PubChem (CID 82785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).