2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

C17H23N3S — CID 63776987

IUPAC2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H23N3S/c1-14(12-18-13-15-6-5-11-21-15)20-10-9-19(2)16-7-3-4-8-17(16)20/h3-8,11,14,18H,9-10,12-13H2,1-2H3
InChIKeyXPSCSFUOXKMVJA-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.18
Rot. Bonds5

About 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 63776987) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID63776987
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)N1CCN(C)c2ccccc21
InChIInChI=1S/C17H23N3S/c1-14(12-18-13-15-6-5-11-21-15)20-10-9-19(2)16-7-3-4-8-17(16)20/h3-8,11,14,18H,9-10,12-13H2,1-2H3
InChIKeyXPSCSFUOXKMVJA-UHFFFAOYSA-N
XLogP3.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55089239
2-(4-propan-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 103503524
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
2-(3,4-dimethylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 79184426
N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine
CID 63779165
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-(2-propylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83062252
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258856
3-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 63778981
4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63776620

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 63776987) is 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)N1CCN(C)c2ccccc21.
What is the InChIKey of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is XPSCSFUOXKMVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-14(12-18-13-15-6-5-11-21-15)20-10-9-19(2)16-7-3-4-8-17(16)20/h3-8,11,14,18H,9-10,12-13H2,1-2H3.
What are the key properties of 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 63776987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).