N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine

C12H15NOS — CID 115607181

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
SMILESCCc1ccc(CNCc2ccoc2)s1
InChIInChI=1S/C12H15NOS/c1-2-11-3-4-12(15-11)8-13-7-10-5-6-14-9-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYVOZILBPMTYVKC-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.19
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine

N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine (PubChem CID 115607181) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
PubChem CID115607181
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine
SMILESCCc1ccc(CNCc2ccoc2)s1
InChIInChI=1S/C12H15NOS/c1-2-11-3-4-12(15-11)8-13-7-10-5-6-14-9-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYVOZILBPMTYVKC-UHFFFAOYSA-N
XLogP3.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-[(2-ethylphenyl)methyl]-1-(furan-3-yl)methanamine
CID 64681981
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
N,N-diethyl-5-[(furan-3-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115595001
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 28586498
1-(furan-3-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 103992217
N-[(5-ethylthiophen-2-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 60875792
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 62319235
2,5-diethylthiophene
CID 521294
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(furan-3-yl)methanamine
CID 115646607

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine (CID 115607181) is N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine is CCc1ccc(CNCc2ccoc2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine?
The InChIKey is YVOZILBPMTYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-11-3-4-12(15-11)8-13-7-10-5-6-14-9-10/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine?
N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine has a molecular weight of 221.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-3-yl)methanamine is sourced from PubChem (CID 115607181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).