1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine

C17H19NS — CID 77055249

IUPAC1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCC=Cc2ccccc2)c1
InChIInChI=1S/C17H19NS/c1-14(18)16-10-5-11-17(13-16)19-12-6-9-15-7-3-2-4-8-15/h2-11,13-14H,12,18H2,1H3
InChIKeyJNJIFAWDFFEYBE-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.51
Rot. Bonds5

About 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine

1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine (PubChem CID 77055249) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
PubChem CID77055249
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCC=Cc2ccccc2)c1
InChIInChI=1S/C17H19NS/c1-14(18)16-10-5-11-17(13-16)19-12-6-9-15-7-3-2-4-8-15/h2-11,13-14H,12,18H2,1H3
InChIKeyJNJIFAWDFFEYBE-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylprop-2-enylsulfanyl)benzaldehyde
CID 77126428
1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
CID 64662525
4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
CID 43299480
4-[3-(1-aminoethyl)phenyl]sulfanylbutanenitrile
CID 64662549
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
1-(3-but-2-enylsulfanylphenyl)ethanol
CID 77055275
1-[3-(cyclopropylmethylsulfanyl)phenyl]ethanamine
CID 64662516
1-(3-octylsulfanylphenyl)ethanamine
CID 64662322
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 114934306
(E)-5-phenylpent-4-en-2-amine
CID 55254237
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine
CID 64662332

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine (CID 77055249) is 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine is CC(N)c1cccc(SCC=Cc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine?
The InChIKey is JNJIFAWDFFEYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-14(18)16-10-5-11-17(13-16)19-12-6-9-15-7-3-2-4-8-15/h2-11,13-14H,12,18H2,1H3.
What are the key properties of 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine?
1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 77055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).