N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine

C15H19ClN2O — CID 82449491

IUPACN-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-10-8-12(9-17-6-7-19-3)13-4-5-14(16)11(2)15(13)18-10/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyAYUXYYTXCCFJIQ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.24
Rot. Bonds5

About N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine

N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine (PubChem CID 82449491) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
PubChem CID82449491
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-10-8-12(9-17-6-7-19-3)13-4-5-14(16)11(2)15(13)18-10/h4-5,8,17H,6-7,9H2,1-3H3
InChIKeyAYUXYYTXCCFJIQ-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.24
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-[(8-fluoro-2-methylquinolin-4-yl)methyl]-2-methoxyethanamine
CID 82448807
2-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448512
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
N-[(3-chloro-2-methoxyphenyl)methyl]-2-methoxyethanamine
CID 112610577
N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 90673364
N-[(6-chloro-7-fluoro-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
CID 116691026
N-[(7,8-dichloro-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449312
N-(7-chloro-2,8-dimethylquinolin-4-yl)-2-methoxybenzamide
CID 43860367
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058152
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
CID 43860369

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine (CID 82449491) is N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine is COCCNCc1cc(C)nc2c(C)c(Cl)ccc12.
What is the InChIKey of N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is AYUXYYTXCCFJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-10-8-12(9-17-6-7-19-3)13-4-5-14(16)11(2)15(13)18-10/h4-5,8,17H,6-7,9H2,1-3H3.
What are the key properties of N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 278.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-2,8-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82449491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).