4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline

C17H17N3O — CID 43757884

IUPAC4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H17N3O/c1-2-21-15-9-7-13(8-10-15)18-11-14-12-19-16-5-3-4-6-17(16)20-14/h3-10,12,18H,2,11H2,1H3
InChIKeySOQSADXVMQFSNQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.64
Rot. Bonds5

About 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline

4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 43757884) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID43757884
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline
SMILESCCOc1ccc(NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H17N3O/c1-2-21-15-9-7-13(8-10-15)18-11-14-12-19-16-5-3-4-6-17(16)20-14/h3-10,12,18H,2,11H2,1H3
InChIKeySOQSADXVMQFSNQ-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43762731
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
ethyl N-(quinoxalin-2-ylmethyl)carbamate
CID 110869614
4-ethoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992505
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
2,4,5-trichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43759066
4-ethoxy-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43234695

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline (CID 43757884) is 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline is CCOc1ccc(NCc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is SOQSADXVMQFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-21-15-9-7-13(8-10-15)18-11-14-12-19-16-5-3-4-6-17(16)20-14/h3-10,12,18H,2,11H2,1H3.
What are the key properties of 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline?
4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 279.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 43757884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).