1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine

C16H17F2NS — CID 114348029

IUPAC1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
SMILESCc1cc(F)ccc1CC(N)CSc1ccccc1F
InChIInChI=1S/C16H17F2NS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14H,9-10,19H2,1H3
InChIKeyIUUGYVPHKYFZEU-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine

1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine (PubChem CID 114348029) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
PubChem CID114348029
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
SMILESCc1cc(F)ccc1CC(N)CSc1ccccc1F
InChIInChI=1S/C16H17F2NS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14H,9-10,19H2,1H3
InChIKeyIUUGYVPHKYFZEU-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 114347483
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]aniline
CID 64767853
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine (CID 114348029) is 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine is Cc1cc(F)ccc1CC(N)CSc1ccccc1F.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
The InChIKey is IUUGYVPHKYFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-11-8-13(17)7-6-12(11)9-14(19)10-20-16-5-3-2-4-15(16)18/h2-8,14H,9-10,19H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine?
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine has a molecular weight of 293.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 114348029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).