1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine

C16H19NS — CID 64662525

IUPAC1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCCc2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11,17H2,1H3
InChIKeyXKWULFBMRZKWCF-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.04
Rot. Bonds5

About 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine

1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine (PubChem CID 64662525) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
PubChem CID64662525
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCCc2ccccc2)c1
InChIInChI=1S/C16H19NS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11,17H2,1H3
InChIKeyXKWULFBMRZKWCF-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-phenylethylsulfanyl)phenyl]ethanol
CID 64665944
1-[3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenyl]ethanamine
CID 103015634
1-(3-benzylphenyl)ethanamine
CID 69109207
1-(3-octylsulfanylphenyl)ethanamine
CID 64662322
1-[3-(2-ethylsulfonylethylsulfanyl)phenyl]ethanamine
CID 64663148
4-[3-(1-aminoethyl)phenyl]sulfanylbutanenitrile
CID 64662549
1-(3-propylphenyl)ethanamine
CID 116543909
1-[3-[2-(3-methylbutoxy)ethylsulfanyl]phenyl]ethanamine
CID 64663316
1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
CID 77055249
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
(1R)-1-[3-(4-phenylbutoxy)phenyl]ethanamine
CID 104893811
1-[2-[3-(1-aminoethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82907886

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine (CID 64662525) is 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine is CC(N)c1cccc(SCCc2ccccc2)c1.
What is the InChIKey of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine?
The InChIKey is XKWULFBMRZKWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(17)15-8-5-9-16(12-15)18-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11,17H2,1H3.
What are the key properties of 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine?
1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 64662525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).