N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine

C16H18FNS — CID 78962431

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
SMILESCN(CCSc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNS/c1-18(13-14-7-9-15(17)10-8-14)11-12-19-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyGJLUGMIFCXTMNZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.05
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine (PubChem CID 78962431) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
PubChem CID78962431
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
SMILESCN(CCSc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C16H18FNS/c1-18(13-14-7-9-15(17)10-8-14)11-12-19-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChIKeyGJLUGMIFCXTMNZ-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79315040
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 112760111
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
CID 78993096
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8558876
3-[[methyl(2-phenylsulfanylethyl)amino]methyl]benzenecarbothioamide
CID 79227420
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 118792144
methyl 4-[methyl(2-phenylsulfanylethyl)amino]butanoate
CID 62013452
2-[methyl(2-phenylsulfanylethyl)amino]-1-piperazin-1-ylethanone
CID 61031966
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-2-methylpropanoic acid
CID 62821777
(2R)-2-[(4-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylbutanamide
CID 100577478

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine (CID 78962431) is N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine is CN(CCSc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is GJLUGMIFCXTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-18(13-14-7-9-15(17)10-8-14)11-12-19-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 78962431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).