(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine

C17H22N2O — CID 81402693

IUPAC(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccco1
InChIInChI=1S/C17H22N2O/c1-13(17-6-4-10-20-17)18-12-14-7-8-16-15(11-14)5-3-9-19(16)2/h4,6-8,10-11,13,18H,3,5,9,12H2,1-2H3/t13-/m1/s1
InChIKeyUAQLGLZIKXACHK-CYBMUJFWSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds4

About (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine (PubChem CID 81402693) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
PubChem CID81402693
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccco1
InChIInChI=1S/C17H22N2O/c1-13(17-6-4-10-20-17)18-12-14-7-8-16-15(11-14)5-3-9-19(16)2/h4,6-8,10-11,13,18H,3,5,9,12H2,1-2H3/t13-/m1/s1
InChIKeyUAQLGLZIKXACHK-CYBMUJFWSA-N
XLogP3.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine with MolForge

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Related Compounds

(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
(1S)-1-cyclohexyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81390953
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(2R)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 113498869
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 81351126

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine (CID 81402693) is (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine is C[C@@H](NCc1ccc2c(c1)CCCN2C)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
The InChIKey is UAQLGLZIKXACHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(17-6-4-10-20-17)18-12-14-7-8-16-15(11-14)5-3-9-19(16)2/h4,6-8,10-11,13,18H,3,5,9,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81402693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).