N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

C16H19BrN2O — CID 105007431

IUPACN-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCCc2cccnc21
InChIInChI=1S/C16H19BrN2O/c1-2-18-16(13-8-9-14(17)20-13)12-7-3-5-11-6-4-10-19-15(11)12/h4,6,8-10,12,16,18H,2-3,5,7H2,1H3
InChIKeyVJDOYSKSBROGRR-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.21
Rot. Bonds4

About N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine

N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (PubChem CID 105007431) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
PubChem CID105007431
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)o1)C1CCCc2cccnc21
InChIInChI=1S/C16H19BrN2O/c1-2-18-16(13-8-9-14(17)20-13)12-7-3-5-11-6-4-10-19-15(11)12/h4,6,8-10,12,16,18H,2-3,5,7H2,1H3
InChIKeyVJDOYSKSBROGRR-UHFFFAOYSA-N
XLogP4.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiophen-2-yl)methyl]ethanamine
CID 79745697
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
N-[5,6,7,8-tetrahydroquinolin-8-yl(thiadiazol-4-yl)methyl]ethanamine
CID 105164757
N-[(4,5-dimethylthiophen-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007293
N-[(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105164741
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
N-[(3-bromo-2-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009686
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923636
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine (CID 105007431) is N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is CCNC(c1ccc(Br)o1)C1CCCc2cccnc21.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
The InChIKey is VJDOYSKSBROGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-18-16(13-8-9-14(17)20-13)12-7-3-5-11-6-4-10-19-15(11)12/h4,6,8-10,12,16,18H,2-3,5,7H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine?
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine is sourced from PubChem (CID 105007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).