2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

C12H21NO2S — CID 115655562

IUPAC2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCOC(C)CNCc1ccc(CSC)o1
InChIInChI=1S/C12H21NO2S/c1-4-14-10(2)7-13-8-11-5-6-12(15-11)9-16-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyBSCUTAWTJYLIND-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.66
Rot. Bonds8

About 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine

2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 115655562) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID115655562
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCOC(C)CNCc1ccc(CSC)o1
InChIInChI=1S/C12H21NO2S/c1-4-14-10(2)7-13-8-11-5-6-12(15-11)9-16-3/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyBSCUTAWTJYLIND-UHFFFAOYSA-N
XLogP2.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 106170960
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 43771633
N-(2-methylpropoxy)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 82710130
2,2-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 61166436
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351652
N',N'-diethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43761839
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790
2-methyl-5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]pentan-1-ol
CID 103859574
N,N-diethyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propanamide
CID 54935769
4-[[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 106125741
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 103802464
2-methyl-3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]propane-1,2-diol
CID 66169654

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine (CID 115655562) is 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is CCOC(C)CNCc1ccc(CSC)o1.
What is the InChIKey of 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is BSCUTAWTJYLIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-14-10(2)7-13-8-11-5-6-12(15-11)9-16-3/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine?
2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 115655562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).