N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine

C18H24N2O — CID 105020825

IUPACN-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)C1CCCCO1
InChIInChI=1S/C18H24N2O/c1-3-19-18(17-6-4-5-11-21-17)15-9-10-16-14(12-15)8-7-13(2)20-16/h7-10,12,17-19H,3-6,11H2,1-2H3
InChIKeyQNTFTRVYMFBOSQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds4

About N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine

N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine (PubChem CID 105020825) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine
PubChem CID105020825
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2nc(C)ccc2c1)C1CCCCO1
InChIInChI=1S/C18H24N2O/c1-3-19-18(17-6-4-5-11-21-17)15-9-10-16-14(12-15)8-7-13(2)20-16/h7-10,12,17-19H,3-6,11H2,1-2H3
InChIKeyQNTFTRVYMFBOSQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxan-2-yl)methyl]ethanamine
CID 62215137
6-[ethylamino(oxan-2-yl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300021
N-[(3-bromo-4-propoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 104658037
N-[(3,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328304
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(4-methylmorpholin-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 81229498
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[(2-methylquinolin-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 105378407
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
[(6-methyl-3-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105305482
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine (CID 105020825) is N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine is CCNC(c1ccc2nc(C)ccc2c1)C1CCCCO1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine?
The InChIKey is QNTFTRVYMFBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-18(17-6-4-5-11-21-17)15-9-10-16-14(12-15)8-7-13(2)20-16/h7-10,12,17-19H,3-6,11H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine?
N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)-(oxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105020825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).