3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine

C15H17BrN2O — CID 116784263

IUPAC3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
SMILESBrc1cnc2c(NCC3CCCCO3)cccc2c1
InChIInChI=1S/C15H17BrN2O/c16-12-8-11-4-3-6-14(15(11)18-9-12)17-10-13-5-1-2-7-19-13/h3-4,6,8-9,13,17H,1-2,5,7,10H2
InChIKeyFUEUJAMKOCYPMT-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.98
Rot. Bonds3

About 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine

3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine (PubChem CID 116784263) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
PubChem CID116784263
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
SMILESBrc1cnc2c(NCC3CCCCO3)cccc2c1
InChIInChI=1S/C15H17BrN2O/c16-12-8-11-4-3-6-14(15(11)18-9-12)17-10-13-5-1-2-7-19-13/h3-4,6,8-9,13,17H,1-2,5,7,10H2
InChIKeyFUEUJAMKOCYPMT-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
N-(3-bromoquinolin-8-yl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 116783724
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
N-(oxolan-2-ylmethyl)isoquinolin-5-amine
CID 82834072
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
2,4-dibromo-N-(oxolan-2-ylmethyl)aniline
CID 60680681
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
CID 116783182
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine (CID 116784263) is 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine is Brc1cnc2c(NCC3CCCCO3)cccc2c1.
What is the InChIKey of 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine?
The InChIKey is FUEUJAMKOCYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-12-8-11-4-3-6-14(15(11)18-9-12)17-10-13-5-1-2-7-19-13/h3-4,6,8-9,13,17H,1-2,5,7,10H2.
What are the key properties of 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine?
3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine has a molecular weight of 321.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 116784263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).