2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine

C16H21NO2S — CID 64609270

IUPAC2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSCc2ccco2)cc1
InChIInChI=1S/C16H21NO2S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10,16H,2,9,11-12,17H2,1H3
InChIKeyUWFYYXVPWKTGAN-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.00
Rot. Bonds8

About 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine

2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 64609270) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID64609270
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSCc2ccco2)cc1
InChIInChI=1S/C16H21NO2S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10,16H,2,9,11-12,17H2,1H3
InChIKeyUWFYYXVPWKTGAN-UHFFFAOYSA-N
XLogP4.00
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanone
CID 82050332
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102558
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
furan-2-yl-(4-propoxyphenyl)methanol
CID 62796281
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
2-(3-phenoxypropylsulfanylmethyl)furan
CID 78846523
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64630836

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine (CID 64609270) is 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CSCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is UWFYYXVPWKTGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-2-9-18-14-7-5-13(6-8-14)16(17)12-20-11-15-4-3-10-19-15/h3-8,10,16H,2,9,11-12,17H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine?
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64609270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).