[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine

C14H16N2O — CID 106887512

IUPAC[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
SMILESNCc1occc1C1CCCc2cccnc21
InChIInChI=1S/C14H16N2O/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,6-8,12H,1,3,5,9,15H2
InChIKeyMIIXSYIVGDJTBA-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.60
Rot. Bonds2

About [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine

[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine (PubChem CID 106887512) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
PubChem CID106887512
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine
SMILESNCc1occc1C1CCCc2cccnc21
InChIInChI=1S/C14H16N2O/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,6-8,12H,1,3,5,9,15H2
InChIKeyMIIXSYIVGDJTBA-UHFFFAOYSA-N
XLogP2.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 79738679
2-fluoro-6-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107602849
3-chloro-4-(5,6,7,8-tetrahydroquinolin-8-yl)aniline
CID 107615870
2-(5,6,7,8-tetrahydroquinolin-8-yl)benzaldehyde
CID 79739966
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
N-[[2-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]cyclopropanamine
CID 79723595
6-(5,6,7,8-tetrahydroquinolin-8-yl)pyridazin-3-amine
CID 79739575
5-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazin-2-amine
CID 79739845
N-methyl-2-(5,6,7,8-tetrahydroquinolin-8-yl)pyridin-4-amine
CID 102824855
4-fluoro-2-(5,6,7,8-tetrahydroquinolin-8-yl)phenol
CID 83130051
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093

Frequently Asked Questions

What is the IUPAC name of [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine?
The IUPAC name of [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine (CID 106887512) is [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine.
What is the SMILES notation for [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine?
The canonical SMILES for [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine is NCc1occc1C1CCCc2cccnc21.
What is the InChIKey of [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine?
The InChIKey is MIIXSYIVGDJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-13-11(6-8-17-13)12-5-1-3-10-4-2-7-16-14(10)12/h2,4,6-8,12H,1,3,5,9,15H2.
What are the key properties of [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine?
[3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106887512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).