N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine

C14H17FN2O — CID 82448807

IUPACN-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H17FN2O/c1-10-8-11(9-16-6-7-18-2)12-4-3-5-13(15)14(12)17-10/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeyKSTVYKPYGJBHPU-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.42
Rot. Bonds5

About N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine

N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine (PubChem CID 82448807) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
PubChem CID82448807
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC NameN-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H17FN2O/c1-10-8-11(9-16-6-7-18-2)12-4-3-5-13(15)14(12)17-10/h3-5,8,16H,6-7,9H2,1-2H3
InChIKeyKSTVYKPYGJBHPU-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.42
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

N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82449491
2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448512
N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
CID 82451066
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
1-[(8-fluoro-2-methylquinolin-4-yl)amino]-3-methoxypropan-2-ol
CID 133394041
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 63772504
8-fluoro-N-(2-methoxy-2-methylpropyl)-2-methylquinolin-4-amine
CID 133368255
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N'-[(2-bromo-3-fluorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405507
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849

Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine (CID 82448807) is N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine is COCCNCc1cc(C)nc2c(F)cccc12.
What is the InChIKey of N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is KSTVYKPYGJBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10-8-11(9-16-6-7-18-2)12-4-3-5-13(15)14(12)17-10/h3-5,8,16H,6-7,9H2,1-2H3.
What are the key properties of N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine?
N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 248.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82448807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).