1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine

C16H18FNS — CID 55238932

IUPAC1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Sc1ccccc1
InChIInChI=1S/C16H18FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h3-10,14H,2,11,18H2,1H3
InChIKeyPCSMRYNUIGNRJH-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine

1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine (PubChem CID 55238932) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
PubChem CID55238932
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Sc1ccccc1
InChIInChI=1S/C16H18FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h3-10,14H,2,11,18H2,1H3
InChIKeyPCSMRYNUIGNRJH-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-[4-(2,4-difluorophenyl)sulfanylphenyl]butan-2-amine
CID 63819664
1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
CID 63817974
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818759
2-(2-aminobutyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 63787438
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
1-[2-(3-bromophenyl)sulfanyl-5-chlorophenyl]butan-2-amine
CID 114866330
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
CID 63816233

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine?
The IUPAC name of 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine (CID 55238932) is 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine is CCC(N)Cc1cc(F)ccc1Sc1ccccc1.
What is the InChIKey of 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine?
The InChIKey is PCSMRYNUIGNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-2-14(18)11-12-10-13(17)8-9-16(12)19-15-6-4-3-5-7-15/h3-10,14H,2,11,18H2,1H3.
What are the key properties of 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine?
1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine is sourced from PubChem (CID 55238932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).