1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

C15H15ClFNS — CID 55101417

IUPAC1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H15ClFNS/c1-10(18)15(13-7-2-3-8-14(13)17)19-12-6-4-5-11(16)9-12/h2-10,15H,18H2,1H3
InChIKeyCIHVPDIDOZHFNM-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.66
Rot. Bonds4

About 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine

1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (PubChem CID 55101417) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
PubChem CID55101417
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(Sc1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H15ClFNS/c1-10(18)15(13-7-2-3-8-14(13)17)19-12-6-4-5-11(16)9-12/h2-10,15H,18H2,1H3
InChIKeyCIHVPDIDOZHFNM-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
1-(3-chlorophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 62647172
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(3-chlorophenyl)sulfanyl-1-(3-methylphenyl)propan-2-amine
CID 62645584
1-(4-bromophenyl)-1-(3-chlorophenyl)sulfanylpropan-2-amine
CID 63537081
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
1-(3-chlorophenyl)sulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 62646457
1-(2-chlorophenyl)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 63537236
1-chloro-3-propan-2-ylsulfanylbenzene
CID 12763281
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine (CID 55101417) is 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is CC(N)C(Sc1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is CIHVPDIDOZHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10(18)15(13-7-2-3-8-14(13)17)19-12-6-4-5-11(16)9-12/h2-10,15H,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine?
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 295.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55101417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).