N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine

C18H23N3 — CID 63778753

IUPACN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C18H23N3/c1-14(19-2)15-8-4-5-9-16(15)21-13-12-20(3)17-10-6-7-11-18(17)21/h4-11,14,19H,12-13H2,1-3H3
InChIKeySNURUCBDCFUFJT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.55
Rot. Bonds3

About N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine

N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine (PubChem CID 63778753) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
PubChem CID63778753
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCN(C)c2ccccc21
InChIInChI=1S/C18H23N3/c1-14(19-2)15-8-4-5-9-16(15)21-13-12-20(3)17-10-6-7-11-18(17)21/h4-11,14,19H,12-13H2,1-3H3
InChIKeySNURUCBDCFUFJT-UHFFFAOYSA-N
XLogP3.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine (CID 63778753) is N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine is CNC(C)c1ccccc1N1CCN(C)c2ccccc21.
What is the InChIKey of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
The InChIKey is SNURUCBDCFUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14(19-2)15-8-4-5-9-16(15)21-13-12-20(3)17-10-6-7-11-18(17)21/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine?
N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63778753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).