1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

C16H21NOS — CID 119114919

IUPAC1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCSc1ccc(C(C)NCc2ccc(C)o2)cc1
InChIInChI=1S/C16H21NOS/c1-4-19-16-9-6-14(7-10-16)13(3)17-11-15-8-5-12(2)18-15/h5-10,13,17H,4,11H2,1-3H3
InChIKeyYHYZOKQJHCIIBH-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine

1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 119114919) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID119114919
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCSc1ccc(C(C)NCc2ccc(C)o2)cc1
InChIInChI=1S/C16H21NOS/c1-4-19-16-9-6-14(7-10-16)13(3)17-11-15-8-5-12(2)18-15/h5-10,13,17H,4,11H2,1-3H3
InChIKeyYHYZOKQJHCIIBH-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
N-[(5-methylfuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62523324
N,N-diethyl-4-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 47009059
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 55081693
(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 97333940
N-[(5-iodofuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 54863117
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
(S)-(4-ethylsulfanylphenyl)-(5-methylfuran-2-yl)methanol
CID 97293006
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
4-[[1-(4-ethylsulfanylphenyl)ethylamino]methyl]benzonitrile
CID 119114921
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 47628205

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 119114919) is 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is CCSc1ccc(C(C)NCc2ccc(C)o2)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is YHYZOKQJHCIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-19-16-9-6-14(7-10-16)13(3)17-11-15-8-5-12(2)18-15/h5-10,13,17H,4,11H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 119114919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).