N-[(2-phenylsulfanylphenyl)methyl]ethanamine

C15H17NS — CID 21402704

IUPACN-[(2-phenylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Sc1ccccc1
InChIInChI=1S/C15H17NS/c1-2-16-12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3
InChIKeyITYYPDYYAGCDON-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.95
Rot. Bonds5

About N-[(2-phenylsulfanylphenyl)methyl]ethanamine

N-[(2-phenylsulfanylphenyl)methyl]ethanamine (PubChem CID 21402704) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(2-phenylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-phenylsulfanylphenyl)methyl]ethanamine
PubChem CID21402704
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-[(2-phenylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccccc1Sc1ccccc1
InChIInChI=1S/C15H17NS/c1-2-16-12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3
InChIKeyITYYPDYYAGCDON-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 63808522
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494
1,2-dimethyl-3-[(2-phenylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111108902
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
N-[(2-bromo-4-phenylsulfanylphenyl)methyl]ethanamine
CID 114061062
2-(ethylaminomethyl)phenol
CID 12995218
N-[[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926107
N-[[2-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]methyl]ethanamine
CID 63809376
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63804403
1-octyl-2-phenylsulfanylbenzene
CID 174593627
N-[(2-cyclopentylsulfanylphenyl)methyl]ethanamine
CID 63813023
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]ethanamine (CID 21402704) is N-[(2-phenylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-phenylsulfanylphenyl)methyl]ethanamine is CCNCc1ccccc1Sc1ccccc1.
What is the InChIKey of N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The InChIKey is ITYYPDYYAGCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-16-12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3.
What are the key properties of N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
N-[(2-phenylsulfanylphenyl)methyl]ethanamine has a molecular weight of 243.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 21402704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).