[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine

C21H22N2O — CID 142307126

IUPAC[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
SMILESNCC1CCNc2c(-c3ccoc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C21H22N2O/c22-13-17-6-8-23-21-19(17)11-16(10-15-4-2-1-3-5-15)12-20(21)18-7-9-24-14-18/h1-5,7,9,11-12,14,17,23H,6,8,10,13,22H2
InChIKeyDJPOMBAEAOFQDB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.40
Rot. Bonds4

About [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine

[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine (PubChem CID 142307126) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
PubChem CID142307126
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine
SMILESNCC1CCNc2c(-c3ccoc3)cc(Cc3ccccc3)cc21
InChIInChI=1S/C21H22N2O/c22-13-17-6-8-23-21-19(17)11-16(10-15-4-2-1-3-5-15)12-20(21)18-7-9-24-14-18/h1-5,7,9,11-12,14,17,23H,6,8,10,13,22H2
InChIKeyDJPOMBAEAOFQDB-UHFFFAOYSA-N
XLogP4.40
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine with MolForge

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Related Compounds

6-benzyl-8-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306693
6-benzyl-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142306810
(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276244
6-benzyl-8-methoxy-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 142307127
6-benzyl-4-tert-butyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 134338559
ethyl 6-benzyl-4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134352008
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 83672603
6,8-dibenzyl-1,2,3,4-tetrahydroquinoline
CID 142306850
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
4-[(6-benzyl-4-tert-butyl-1,2,3,4-tetrahydroquinolin-8-yl)methyl]morpholine;6-benzyl-4-ethyl-8-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline;6-benzyl-8-(piperidin-1-ylmethyl)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;ethane
CID 142306928
7-benzyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62273161

Frequently Asked Questions

What is the IUPAC name of [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine?
The IUPAC name of [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine (CID 142307126) is [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine.
What is the SMILES notation for [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine?
The canonical SMILES for [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine is NCC1CCNc2c(-c3ccoc3)cc(Cc3ccccc3)cc21.
What is the InChIKey of [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine?
The InChIKey is DJPOMBAEAOFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c22-13-17-6-8-23-21-19(17)11-16(10-15-4-2-1-3-5-15)12-20(21)18-7-9-24-14-18/h1-5,7,9,11-12,14,17,23H,6,8,10,13,22H2.
What are the key properties of [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine?
[6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine has a molecular weight of 318.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-benzyl-8-(furan-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]methanamine is sourced from PubChem (CID 142307126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).