N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine

C18H24N2O — CID 107136962

IUPACN-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c2ccccc2n1)C1CCCOC1
InChIInChI=1S/C18H24N2O/c1-3-19-18(14-7-6-10-21-12-14)17-11-13(2)15-8-4-5-9-16(15)20-17/h4-5,8-9,11,14,18-19H,3,6-7,10,12H2,1-2H3
InChIKeyZZBNJDPRUUOQPH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds4

About N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine

N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107136962) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107136962
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)c2ccccc2n1)C1CCCOC1
InChIInChI=1S/C18H24N2O/c1-3-19-18(14-7-6-10-21-12-14)17-11-13(2)15-8-4-5-9-16(15)20-17/h4-5,8-9,11,14,18-19H,3,6-7,10,12H2,1-2H3
InChIKeyZZBNJDPRUUOQPH-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylquinolin-2-yl)-(oxan-3-yl)methanol
CID 107136237
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138881
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
[cyclohexyl-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279673
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[oxan-3-yl(quinolin-6-yl)methyl]ethanamine
CID 81231200
2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755199
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine (CID 107136962) is N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cc(C)c2ccccc2n1)C1CCCOC1.
What is the InChIKey of N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is ZZBNJDPRUUOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-18(14-7-6-10-21-12-14)17-11-13(2)15-8-4-5-9-16(15)20-17/h4-5,8-9,11,14,18-19H,3,6-7,10,12H2,1-2H3.
What are the key properties of N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107136962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).