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

C16H23NOS — CID 81156942

IUPACN-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1sc(C)cc1C
InChIInChI=1S/C16H23NOS/c1-5-9-17-15(14-8-7-13(6-2)18-14)16-11(3)10-12(4)19-16/h7-8,10,15,17H,5-6,9H2,1-4H3
InChIKeyMULRDBYPFJRYPE-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.61
Rot. Bonds6

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

N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (PubChem CID 81156942) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
PubChem CID81156942
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)o1)c1sc(C)cc1C
InChIInChI=1S/C16H23NOS/c1-5-9-17-15(14-8-7-13(6-2)18-14)16-11(3)10-12(4)19-16/h7-8,10,15,17H,5-6,9H2,1-4H3
InChIKeyMULRDBYPFJRYPE-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methyl]propan-1-amine
CID 81155528
N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049
N-[(3,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81157391
N-[(3,5-dimethylthiophen-2-yl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 81156181
N-[(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 102828702
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
N-[(2,5-dibromothiophen-3-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107961210
N-[(2,5-dibromophenyl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 114369209
N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 106861060
1-(3,5-dimethylthiophen-2-yl)-2-ethyl-N-propylbutan-1-amine
CID 81157389
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine (CID 81156942) is N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)o1)c1sc(C)cc1C.
What is the InChIKey of N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is MULRDBYPFJRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-5-9-17-15(14-8-7-13(6-2)18-14)16-11(3)10-12(4)19-16/h7-8,10,15,17H,5-6,9H2,1-4H3.
What are the key properties of N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylthiophen-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81156942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).