1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine

C16H18FNS — CID 55019158

IUPAC1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Sc1ccc(F)cc1)C(C)N
InChIInChI=1S/C16H18FNS/c1-11-5-3-4-6-15(11)16(12(2)18)19-14-9-7-13(17)8-10-14/h3-10,12,16H,18H2,1-2H3
InChIKeyNQYWZTPBHCQMSD-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.31
Rot. Bonds4

About 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine

1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine (PubChem CID 55019158) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
PubChem CID55019158
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(Sc1ccc(F)cc1)C(C)N
InChIInChI=1S/C16H18FNS/c1-11-5-3-4-6-15(11)16(12(2)18)19-14-9-7-13(17)8-10-14/h3-10,12,16H,18H2,1-2H3
InChIKeyNQYWZTPBHCQMSD-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2-methylphenyl)-1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine
CID 55018625
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 63538069
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019210
3-[2-amino-1-(2-methylphenyl)propyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882318
1-(2-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 55019046
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine (CID 55019158) is 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(Sc1ccc(F)cc1)C(C)N.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine?
The InChIKey is NQYWZTPBHCQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-5-3-4-6-15(11)16(12(2)18)19-14-9-7-13(17)8-10-14/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine?
1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 55019158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).