N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine

C14H19N3O — CID 105165419

IUPACN-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
SMILESCCCOCC(NC)c1cccc2nccnc12
InChIInChI=1S/C14H19N3O/c1-3-9-18-10-13(15-2)11-5-4-6-12-14(11)17-8-7-16-12/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyQICOMMRMCLRBRM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.32
Rot. Bonds6

About N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine

N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine (PubChem CID 105165419) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
PubChem CID105165419
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-methyl-2-propoxy-1-quinoxalin-5-ylethanamine
SMILESCCCOCC(NC)c1cccc2nccnc12
InChIInChI=1S/C14H19N3O/c1-3-9-18-10-13(15-2)11-5-4-6-12-14(11)17-8-7-16-12/h4-8,13,15H,3,9-10H2,1-2H3
InChIKeyQICOMMRMCLRBRM-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
N-methyl-2-pyridin-2-yl-1-quinoxalin-5-ylethanamine
CID 105158086
4-methoxy-N,4-dimethyl-1-quinoxalin-5-ylpentan-1-amine
CID 103032278
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
1-(2-methoxyphenyl)-N-methyl-2-(2-propoxyethoxy)ethanamine
CID 63686193
N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
CID 103444249
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278
5-butan-2-ylquinoxaline
CID 123654553
N-methyl-1-phenyl-1-quinoxalin-5-ylmethanamine
CID 105084067

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine?
The IUPAC name of N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine (CID 105165419) is N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine?
The canonical SMILES for N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine is CCCOCC(NC)c1cccc2nccnc12.
What is the InChIKey of N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine?
The InChIKey is QICOMMRMCLRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9-18-10-13(15-2)11-5-4-6-12-14(11)17-8-7-16-12/h4-8,13,15H,3,9-10H2,1-2H3.
What are the key properties of N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine?
N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propoxy-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 105165419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).