N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine

C19H21N3O2 — CID 133444704

IUPACN-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(COCCNc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H21N3O2/c1-14-19(22-18-6-4-3-5-17(18)21-14)20-11-12-24-13-15-7-9-16(23-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyFBJKHLVFECDYGA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine

N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine (PubChem CID 133444704) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
PubChem CID133444704
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
SMILESCOc1ccc(COCCNc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H21N3O2/c1-14-19(22-18-6-4-3-5-17(18)21-14)20-11-12-24-13-15-7-9-16(23-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyFBJKHLVFECDYGA-UHFFFAOYSA-N
XLogP3.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
CID 115698562
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine (CID 133444704) is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine is COc1ccc(COCCNc2nc3ccccc3nc2C)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine?
The InChIKey is FBJKHLVFECDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-19(22-18-6-4-3-5-17(18)21-14)20-11-12-24-13-15-7-9-16(23-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine?
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 133444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).