[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine

C17H15BrN2O — CID 28981655

IUPAC[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H15BrN2O/c18-15-4-6-17(14(9-15)10-19)21-11-12-3-5-16-13(8-12)2-1-7-20-16/h1-9H,10-11,19H2
InChIKeyZCPCZFMDQMSANY-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.03
Rot. Bonds4

About [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine

[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine (PubChem CID 28981655) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
PubChem CID28981655
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C17H15BrN2O/c18-15-4-6-17(14(9-15)10-19)21-11-12-3-5-16-13(8-12)2-1-7-20-16/h1-9H,10-11,19H2
InChIKeyZCPCZFMDQMSANY-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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Related Compounds

6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
CID 28981703
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
bis(6-bromoquinoline);hydrate
CID 174834691
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine (CID 28981655) is [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine is NCc1cc(Br)ccc1OCc1ccc2ncccc2c1.
What is the InChIKey of [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine?
The InChIKey is ZCPCZFMDQMSANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-4-6-17(14(9-15)10-19)21-11-12-3-5-16-13(8-12)2-1-7-20-16/h1-9H,10-11,19H2.
What are the key properties of [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine?
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]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 [5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 28981655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).