N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine

C19H28N2O — CID 82448681

IUPACN-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C(C)(C)C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H28N2O/c1-13-9-14(2)18-15(12-20-7-8-22-6)11-17(19(3,4)5)21-16(18)10-13/h9-11,20H,7-8,12H2,1-6H3
InChIKeyBHWBTBKPJNAABB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.89
Rot. Bonds5

About N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine

N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine (PubChem CID 82448681) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
PubChem CID82448681
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(C(C)(C)C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H28N2O/c1-13-9-14(2)18-15(12-20-7-8-22-6)11-17(19(3,4)5)21-16(18)10-13/h9-11,20H,7-8,12H2,1-6H3
InChIKeyBHWBTBKPJNAABB-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.89
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-methoxy-N-[(2,6,8-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448512
2-tert-butyl-5,7-dimethylquinoline-4-carbohydrazide
CID 82448696
N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448602
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
CID 82448690
N-[(5,7-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]butan-1-amine
CID 82448645
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776
2-methyl-2-(4,5,7-trimethylquinolin-2-yl)propanoic acid
CID 84636605
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287872
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63804492
N-(2-methoxyethyl)-3,3-dimethyl-5-(2,4,6-trimethylphenyl)pentan-1-amine
CID 65304715
1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
CID 82448573

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine (CID 82448681) is N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine is COCCNCc1cc(C(C)(C)C)nc2cc(C)cc(C)c12.
What is the InChIKey of N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is BHWBTBKPJNAABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13-9-14(2)18-15(12-20-7-8-22-6)11-17(19(3,4)5)21-16(18)10-13/h9-11,20H,7-8,12H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine?
N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 300.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-5,7-dimethylquinolin-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82448681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).