N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

C15H21NOS — CID 54953076

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1cc(C(C)NC(C)Cc2ccsc2)c(C)o1
InChIInChI=1S/C15H21NOS/c1-10(7-14-5-6-18-9-14)16-12(3)15-8-11(2)17-13(15)4/h5-6,8-10,12,16H,7H2,1-4H3
InChIKeyWZUAOWHRFFKDPH-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 54953076) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID54953076
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1cc(C(C)NC(C)Cc2ccsc2)c(C)o1
InChIInChI=1S/C15H21NOS/c1-10(7-14-5-6-18-9-14)16-12(3)15-8-11(2)17-13(15)4/h5-6,8-10,12,16H,7H2,1-4H3
InChIKeyWZUAOWHRFFKDPH-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
2-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propane-1,2-diamine
CID 103389665
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 54953076) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is Cc1cc(C(C)NC(C)Cc2ccsc2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is WZUAOWHRFFKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-10(7-14-5-6-18-9-14)16-12(3)15-8-11(2)17-13(15)4/h5-6,8-10,12,16H,7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 54953076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).