1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine

C17H23NOS — CID 64610106

IUPAC1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)SCc2ccco2)cc1
InChIInChI=1S/C17H23NOS/c1-4-14-7-9-15(10-8-14)17(18-3)13(2)20-12-16-6-5-11-19-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeySIEJRYLHZWPZPE-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.42
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine

1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine (PubChem CID 64610106) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine
PubChem CID64610106
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)SCc2ccco2)cc1
InChIInChI=1S/C17H23NOS/c1-4-14-7-9-15(10-8-14)17(18-3)13(2)20-12-16-6-5-11-19-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeySIEJRYLHZWPZPE-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-(4-ethylphenyl)-N-methyl-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
CID 106927220
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944
N-[2-(furan-2-ylmethylsulfanyl)propyl]-2-methylpropan-1-amine
CID 62576135
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfanylmethyl]furan
CID 99829004
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515376

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine (CID 64610106) is 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine is CCc1ccc(C(NC)C(C)SCc2ccco2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is SIEJRYLHZWPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-14-7-9-15(10-8-14)17(18-3)13(2)20-12-16-6-5-11-19-16/h5-11,13,17-18H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine?
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 64610106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).