2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol

C17H21NO2S — CID 46996409

IUPAC2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol
SMILESCSc1ccc(CN(C/C=C/c2ccco2)CCO)cc1
InChIInChI=1S/C17H21NO2S/c1-21-17-8-6-15(7-9-17)14-18(11-12-19)10-2-4-16-5-3-13-20-16/h2-9,13,19H,10-12,14H2,1H3/b4-2+
InChIKeyVWPVCWYOZDLAGS-DUXPYHPUSA-N
MW303.43 g/mol
LogP3.51
Rot. Bonds8

About 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol

2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol (PubChem CID 46996409) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol
PubChem CID46996409
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol
SMILESCSc1ccc(CN(C/C=C/c2ccco2)CCO)cc1
InChIInChI=1S/C17H21NO2S/c1-21-17-8-6-15(7-9-17)14-18(11-12-19)10-2-4-16-5-3-13-20-16/h2-9,13,19H,10-12,14H2,1H3/b4-2+
InChIKeyVWPVCWYOZDLAGS-DUXPYHPUSA-N
XLogP3.51
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]furan-2-carboxamide
CID 46992810
(E)-3-(furan-2-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 11842503
2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
CID 40514905
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
4-[5-[[2-hydroxyethyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]thiophen-2-yl]-2-methylbut-3-yn-2-ol
CID 46998131
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
2-[(4-methylsulfanylphenyl)methyl-[(3-pyrimidin-2-yloxyphenyl)methyl]amino]ethanol
CID 46987556
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
2-(3-chloroprop-1-enyl)furan
CID 54215427
3-(furan-2-ylmethyl)-1-methyl-1-[(4-methylsulfanylphenyl)methyl]thiourea
CID 8787213
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
CID 115865995
2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol
CID 110027526

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol (CID 46996409) is 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol is CSc1ccc(CN(C/C=C/c2ccco2)CCO)cc1.
What is the InChIKey of 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol?
The InChIKey is VWPVCWYOZDLAGS-DUXPYHPUSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-21-17-8-6-15(7-9-17)14-18(11-12-19)10-2-4-16-5-3-13-20-16/h2-9,13,19H,10-12,14H2,1H3/b4-2+.
What are the key properties of 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol?
2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol has a molecular weight of 303.43 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(furan-2-yl)prop-2-enyl]-[(4-methylsulfanylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 46996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).