2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine

C15H15F2NS — CID 63818816

IUPAC2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyCMKLRUJFVHIDPU-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine

2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine (PubChem CID 63818816) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
PubChem CID63818816
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Sc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3
InChIKeyCMKLRUJFVHIDPU-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-[4-(2,5-dichlorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818247
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
2-[6-(2,5-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80651796
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
CID 55238731
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
CID 62378200
[4-(2,5-difluorophenyl)sulfanyl-2,6-dimethyl-3-pyridinyl]methanamine
CID 81052393
2-[4-(2-methoxyethylsulfanyl)-3-methylphenyl]ethanamine
CID 63819667

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine (CID 63818816) is 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1Sc1cc(F)ccc1F.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine?
The InChIKey is CMKLRUJFVHIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-8-11(6-7-18)2-5-14(10)19-15-9-12(16)3-4-13(15)17/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine?
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine has a molecular weight of 279.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine is sourced from PubChem (CID 63818816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).