5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline

C16H16BrNO — CID 115104408

IUPAC5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccccc1OCc1cccc2c1CCCN2
InChIInChI=1S/C16H16BrNO/c17-14-7-1-2-9-16(14)19-11-12-5-3-8-15-13(12)6-4-10-18-15/h1-3,5,7-9,18H,4,6,10-11H2
InChIKeyKGFHASIEUZYNNS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.39
Rot. Bonds3

About 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline

5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 115104408) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID115104408
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESBrc1ccccc1OCc1cccc2c1CCCN2
InChIInChI=1S/C16H16BrNO/c17-14-7-1-2-9-16(14)19-11-12-5-3-8-15-13(12)6-4-10-18-15/h1-3,5,7-9,18H,4,6,10-11H2
InChIKeyKGFHASIEUZYNNS-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
3-(1,2,3,4-tetrahydroquinolin-5-yloxy)propane-1,2-diol
CID 103045086
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline (CID 115104408) is 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline is Brc1ccccc1OCc1cccc2c1CCCN2.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KGFHASIEUZYNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-14-7-1-2-9-16(14)19-11-12-5-3-8-15-13(12)6-4-10-18-15/h1-3,5,7-9,18H,4,6,10-11H2.
What are the key properties of 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 318.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115104408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).