4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine

C19H22FNOS — CID 56783667

IUPAC4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine
SMILESCSc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-18-8-2-15(3-9-18)14-21-19(10-12-22-13-11-19)16-4-6-17(20)7-5-16/h2-9,21H,10-14H2,1H3
InChIKeyYHNJNZYTIXXAIT-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.34
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine

4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine (PubChem CID 56783667) has the molecular formula C19H22FNOS and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine
PubChem CID56783667
Molecular FormulaC19H22FNOS
Molecular Weight331.46 g/mol
Exact Mass331.14
IUPAC Name4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine
SMILESCSc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C19H22FNOS/c1-23-18-8-2-15(3-9-18)14-21-19(10-12-22-13-11-19)16-4-6-17(20)7-5-16/h2-9,21H,10-14H2,1H3
InChIKeyYHNJNZYTIXXAIT-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine
CID 75428167
4-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]oxan-4-amine
CID 53618173
3,5,5-Trimethyl-3-phenyl-2-phenylsulfanylmorpholine
CID 10519278
N-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 29209354
N-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 29209355
N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]oxan-4-amine
CID 43609794
1-[3-(3-fluorophenyl)tetrahydro-3-furanyl]-N-[4-(methylthio)benzyl]methanamine
CID 45199839
N-[(2,3-difluorophenyl)methyl]-4-(4-fluorophenyl)oxan-4-amine
CID 53580729
N-ethyl-1-[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140917
N-[[3-fluoro-4-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 55240216
N-[[3,5-difluoro-4-(oxan-4-ylsulfanyl)phenyl]methyl]ethanamine
CID 55240416

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine (CID 56783667) is 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine is CSc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine?
The InChIKey is YHNJNZYTIXXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNOS/c1-23-18-8-2-15(3-9-18)14-21-19(10-12-22-13-11-19)16-4-6-17(20)7-5-16/h2-9,21H,10-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine?
4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine has a molecular weight of 331.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 56783667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).