N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine

C17H23NOS — CID 106849283

IUPACN-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(SCC)cc1
InChIInChI=1S/C17H23NOS/c1-3-11-18-17(13-15-6-5-12-19-15)14-7-9-16(10-8-14)20-4-2/h5-10,12,17-18H,3-4,11,13H2,1-2H3
InChIKeyBYZDSGFEGXHNRW-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.68
Rot. Bonds8

About N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine

N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 106849283) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID106849283
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(SCC)cc1
InChIInChI=1S/C17H23NOS/c1-3-11-18-17(13-15-6-5-12-19-15)14-7-9-16(10-8-14)20-4-2/h5-10,12,17-18H,3-4,11,13H2,1-2H3
InChIKeyBYZDSGFEGXHNRW-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 106849283) is N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(SCC)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is BYZDSGFEGXHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-11-18-17(13-15-6-5-12-19-15)14-7-9-16(10-8-14)20-4-2/h5-10,12,17-18H,3-4,11,13H2,1-2H3.
What are the key properties of N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106849283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).