N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine

C15H17BrN2O2 — CID 115959206

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESBrc1ccc(CNCC2COCCO2)c2ncccc12
InChIInChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-18-15)8-17-9-12-10-19-6-7-20-12/h1-5,12,17H,6-10H2
InChIKeySANLVIPSVGJCNE-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.50
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine

N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine (PubChem CID 115959206) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
PubChem CID115959206
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
SMILESBrc1ccc(CNCC2COCCO2)c2ncccc12
InChIInChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-18-15)8-17-9-12-10-19-6-7-20-12/h1-5,12,17H,6-10H2
InChIKeySANLVIPSVGJCNE-UHFFFAOYSA-N
XLogP2.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103943748
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257
N-[(5-bromoquinolin-8-yl)methyl]-1-(1-methylpiperidin-3-yl)methanamine
CID 115959253
3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268154
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
CID 75517964
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine (CID 115959206) is N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine is Brc1ccc(CNCC2COCCO2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
The InChIKey is SANLVIPSVGJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-14-4-3-11(15-13(14)2-1-5-18-15)8-17-9-12-10-19-6-7-20-12/h1-5,12,17H,6-10H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine?
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine has a molecular weight of 337.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine is sourced from PubChem (CID 115959206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).