1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine

C17H15BrN2O — CID 106541292

IUPAC1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2nccc3c(Br)cccc23)cc1
InChIInChI=1S/C17H15BrN2O/c1-19-11-12-5-7-13(8-6-12)21-17-15-3-2-4-16(18)14(15)9-10-20-17/h2-10,19H,11H2,1H3
InChIKeyJLDFSZAMVPCJNR-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.51
Rot. Bonds4

About 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine

1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 106541292) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
PubChem CID106541292
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2nccc3c(Br)cccc23)cc1
InChIInChI=1S/C17H15BrN2O/c1-19-11-12-5-7-13(8-6-12)21-17-15-3-2-4-16(18)14(15)9-10-20-17/h2-10,19H,11H2,1H3
InChIKeyJLDFSZAMVPCJNR-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777
1-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106486635
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
2-(5-bromoisoquinolin-1-yl)oxy-3-methylaniline
CID 106540174
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
CID 106536941
5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
CID 106537014
2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
N-methyl-1-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)methanamine
CID 106486840
N-methyl-1-(3-thieno[3,2-c]pyridin-4-yloxyphenyl)methanamine
CID 106486410
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
CID 64720895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine (CID 106541292) is 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine is CNCc1ccc(Oc2nccc3c(Br)cccc23)cc1.
What is the InChIKey of 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is JLDFSZAMVPCJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-19-11-12-5-7-13(8-6-12)21-17-15-3-2-4-16(18)14(15)9-10-20-17/h2-10,19H,11H2,1H3.
What are the key properties of 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine?
1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 343.22 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 106541292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).