1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine

C16H18FNS — CID 63818759

IUPAC1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
SMILESCc1ccc(Sc2ccc(F)cc2CC(C)N)cc1
InChIInChI=1S/C16H18FNS/c1-11-3-6-15(7-4-11)19-16-8-5-14(17)10-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3
InChIKeyKKZIWQHUPVEIHA-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.18
Rot. Bonds4

About 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine

1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine (PubChem CID 63818759) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
PubChem CID63818759
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
SMILESCc1ccc(Sc2ccc(F)cc2CC(C)N)cc1
InChIInChI=1S/C16H18FNS/c1-11-3-6-15(7-4-11)19-16-8-5-14(17)10-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3
InChIKeyKKZIWQHUPVEIHA-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-(2-butylsulfanyl-5-fluorophenyl)propan-2-amine
CID 63818309
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
1-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]propan-2-amine
CID 114865963
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
3-[2-(2-aminopropyl)-4-fluorophenyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63820369

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine (CID 63818759) is 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine is Cc1ccc(Sc2ccc(F)cc2CC(C)N)cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
The InChIKey is KKZIWQHUPVEIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-3-6-15(7-4-11)19-16-8-5-14(17)10-13(16)9-12(2)18/h3-8,10,12H,9,18H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 63818759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).