N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

C18H23NOS — CID 81163668

IUPACN-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1COc2ccccc21
InChIInChI=1S/C18H23NOS/c1-4-9-19-17(18-12(2)10-13(3)21-18)15-11-20-16-8-6-5-7-14(15)16/h5-8,10,15,17,19H,4,9,11H2,1-3H3
InChIKeyKEAYAGJQWGUFPB-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.58
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine

N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 81163668) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID81163668
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC NameN-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)cc1C)C1COc2ccccc21
InChIInChI=1S/C18H23NOS/c1-4-9-19-17(18-12(2)10-13(3)21-18)15-11-20-16-8-6-5-7-14(15)16/h5-8,10,15,17,19H,4,9,11H2,1-3H3
InChIKeyKEAYAGJQWGUFPB-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81156280
N-[2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652109
N-[2,3-dihydro-1H-inden-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106892800
N-[(3,5-dimethylthiophen-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825356
3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278725
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
N-[(2,2-dimethylcyclopentyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107178074
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107129103
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
CID 104807348
N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
[2,3-dihydro-1-benzofuran-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105262790
N-[2,3-dihydro-1-benzofuran-3-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136795

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine (CID 81163668) is N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sc(C)cc1C)C1COc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is KEAYAGJQWGUFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-4-9-19-17(18-12(2)10-13(3)21-18)15-11-20-16-8-6-5-7-14(15)16/h5-8,10,15,17,19H,4,9,11H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81163668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).