1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine

C15H15F2NS — CID 63818458

IUPAC1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NS/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyCVDGEMDWPDNYNV-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.01
Rot. Bonds4

About 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine

1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine (PubChem CID 63818458) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
PubChem CID63818458
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NS/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3
InChIKeyCVDGEMDWPDNYNV-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63812967
1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 55238730
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818759
1-[2-(2-fluorophenyl)phenyl]propan-2-amine
CID 170864653
N-[[5-chloro-2-(3,4-difluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 114864276
1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
CID 107783655
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
1-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]propan-2-amine
CID 114865963
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine (CID 63818458) is 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine is CC(N)Cc1ccccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine?
The InChIKey is CVDGEMDWPDNYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10(18)8-11-4-2-3-5-15(11)19-12-6-7-13(16)14(17)9-12/h2-7,9-10H,8,18H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine?
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine has a molecular weight of 279.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 63818458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).