1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine

C16H18FNS — CID 55018702

IUPAC1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SC(c2ccccc2F)C(C)N)cc1
InChIInChI=1S/C16H18FNS/c1-11-7-9-13(10-8-11)19-16(12(2)18)14-5-3-4-6-15(14)17/h3-10,12,16H,18H2,1-2H3
InChIKeyBJFQOPLMDDEGKZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine

1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 55018702) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID55018702
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SC(c2ccccc2F)C(C)N)cc1
InChIInChI=1S/C16H18FNS/c1-11-7-9-13(10-8-11)19-16(12(2)18)14-5-3-4-6-15(14)17/h3-10,12,16H,18H2,1-2H3
InChIKeyBJFQOPLMDDEGKZ-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-(4-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019158
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(2-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 55019046
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55018556
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanylpropan-1-ol
CID 66115906
1-(2-bromophenyl)-1-(4-propan-2-ylphenyl)sulfanylpropan-2-amine
CID 63538069

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine (CID 55018702) is 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine is Cc1ccc(SC(c2ccccc2F)C(C)N)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is BJFQOPLMDDEGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-7-9-13(10-8-11)19-16(12(2)18)14-5-3-4-6-15(14)17/h3-10,12,16H,18H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine?
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-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-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 55018702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).