3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine

C18H24N2O — CID 82542289

IUPAC3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc3c(c2)CCCN3C)o1
InChIInChI=1S/C18H24N2O/c1-13(9-10-19)17-7-8-18(21-17)15-5-6-16-14(12-15)4-3-11-20(16)2/h5-8,12-13H,3-4,9-11,19H2,1-2H3
InChIKeyLOAHQFCJSFQXNR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds4

About 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine

3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine (PubChem CID 82542289) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine
PubChem CID82542289
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine
SMILESCC(CCN)c1ccc(-c2ccc3c(c2)CCCN3C)o1
InChIInChI=1S/C18H24N2O/c1-13(9-10-19)17-7-8-18(21-17)15-5-6-16-14(12-15)4-3-11-20(16)2/h5-8,12-13H,3-4,9-11,19H2,1-2H3
InChIKeyLOAHQFCJSFQXNR-UHFFFAOYSA-N
XLogP3.78
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542304
(E)-3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]but-2-enoic acid
CID 82543782
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
2-[4-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 39226206
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-6-propan-2-ylpyrimidin-4-amine
CID 62201943
2,2,2-trifluoro-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 63898475
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine (CID 82542289) is 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine is CC(CCN)c1ccc(-c2ccc3c(c2)CCCN3C)o1.
What is the InChIKey of 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine?
The InChIKey is LOAHQFCJSFQXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(9-10-19)17-7-8-18(21-17)15-5-6-16-14(12-15)4-3-11-20(16)2/h5-8,12-13H,3-4,9-11,19H2,1-2H3.
What are the key properties of 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine?
3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]butan-1-amine is sourced from PubChem (CID 82542289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).