N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine

C18H26N2O — CID 63489674

IUPACN-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
SMILESCCCCCCOc1cc(CNCC)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-3-5-6-9-12-21-18-13-15(14-19-4-2)16-10-7-8-11-17(16)20-18/h7-8,10-11,13,19H,3-6,9,12,14H2,1-2H3
InChIKeyWUWJFMGPJJDTHW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds9

About N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine

N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine (PubChem CID 63489674) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
PubChem CID63489674
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
SMILESCCCCCCOc1cc(CNCC)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-3-5-6-9-12-21-18-13-15(14-19-4-2)16-10-7-8-11-17(16)20-18/h7-8,10-11,13,19H,3-6,9,12,14H2,1-2H3
InChIKeyWUWJFMGPJJDTHW-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-propylquinolin-2-yl)oxypentylamino]ethanethiol;sulfuric acid
CID 90472477
N-[[2-[2-(dimethylamino)ethoxy]quinolin-4-yl]methyl]propan-1-amine
CID 62296307
2-octoxyquinoline-4-carbonitrile
CID 63885669
N-(2-hydroxysulfonothioyloxyethyl)-5-(4-propylquinolin-2-yl)oxypentan-1-amine
CID 21139431
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651
N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
[2-(3-methoxypropoxy)quinolin-4-yl]methanol
CID 59177432
N,N-diethyl-2-[4-(methylaminomethyl)quinolin-2-yl]oxyethanamine
CID 62296835
2-hexadecoxyquinoxaline
CID 175436911
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine (CID 63489674) is N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine is CCCCCCOc1cc(CNCC)c2ccccc2n1.
What is the InChIKey of N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine?
The InChIKey is WUWJFMGPJJDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-5-6-9-12-21-18-13-15(14-19-4-2)16-10-7-8-11-17(16)20-18/h7-8,10-11,13,19H,3-6,9,12,14H2,1-2H3.
What are the key properties of N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine?
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine is sourced from PubChem (CID 63489674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).