[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine

C16H12BrClN2O — CID 106541842

IUPAC[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C16H12BrClN2O/c17-13-4-1-3-11-10(13)7-8-20-16(11)21-15-6-2-5-14(18)12(15)9-19/h1-8H,9,19H2
InChIKeyXNJUAZULUNGXSO-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.90
Rot. Bonds3

About [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine

[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine (PubChem CID 106541842) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
PubChem CID106541842
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C16H12BrClN2O/c17-13-4-1-3-11-10(13)7-8-20-16(11)21-15-6-2-5-14(18)12(15)9-19/h1-8H,9,19H2
InChIKeyXNJUAZULUNGXSO-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

2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
(2-chloro-6-quinazolin-4-yloxyphenyl)methanamine
CID 114323838
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
CID 106536941
2-(5-bromoisoquinolin-1-yl)oxy-3-methylaniline
CID 106540174
[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
CID 114869765
3-[2-(aminomethyl)-3-chlorophenoxy]-1-methylpyrazin-2-one
CID 114323844
5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
CID 106537014
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
CID 114323851
1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
CID 106541292
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine?
The IUPAC name of [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine (CID 106541842) is [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine?
The canonical SMILES for [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1Oc1nccc2c(Br)cccc12.
What is the InChIKey of [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine?
The InChIKey is XNJUAZULUNGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-13-4-1-3-11-10(13)7-8-20-16(11)21-15-6-2-5-14(18)12(15)9-19/h1-8H,9,19H2.
What are the key properties of [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine?
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]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 [2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine is sourced from PubChem (CID 106541842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).