1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C14H17BrN2O — CID 112617826

IUPAC1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O/c1-14(2,3)18-17-9-10-6-7-12(15)11-5-4-8-16-13(10)11/h4-8,17H,9H2,1-3H3
InChIKeyFHPLNQPQWGVTEE-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.82
Rot. Bonds3

About 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 112617826) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID112617826
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCC(C)(C)ONCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2O/c1-14(2,3)18-17-9-10-6-7-12(15)11-5-4-8-16-13(10)11/h4-8,17H,9H2,1-3H3
InChIKeyFHPLNQPQWGVTEE-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 115959416
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 112617826) is 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CC(C)(C)ONCc1ccc(Br)c2cccnc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is FHPLNQPQWGVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-14(2,3)18-17-9-10-6-7-12(15)11-5-4-8-16-13(10)11/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 309.21 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 112617826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).