(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine

C15H16FNS — CID 113247636

IUPAC(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNS/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15H,2,17H2,1H3/t15-/m1/s1
InChIKeyNDJJQCYWWFQVTJ-OAHLLOKOSA-N
MW261.37 g/mol
LogP4.39
Rot. Bonds4

About (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine

(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine (PubChem CID 113247636) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
PubChem CID113247636
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNS/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15H,2,17H2,1H3/t15-/m1/s1
InChIKeyNDJJQCYWWFQVTJ-OAHLLOKOSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 112585182
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1R)-1-(4-pyridin-4-ylsulfanylphenyl)propan-1-amine
CID 114066633
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-butan-2-ylsulfanyl-3-fluorobenzene
CID 131103530
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171226809
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
4-(3-fluorophenyl)sulfanylphenol
CID 91875611
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
1-[2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66071499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine (CID 113247636) is (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine is CC[C@@H](N)c1ccc(Sc2cccc(F)c2)cc1.
What is the InChIKey of (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine?
The InChIKey is NDJJQCYWWFQVTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16FNS/c1-2-15(17)11-6-8-13(9-7-11)18-14-5-3-4-12(16)10-14/h3-10,15H,2,17H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine?
(1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-fluorophenyl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 113247636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).