2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine

C15H16FNS — CID 64622029

IUPAC2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
SMILESCC(Sc1ccccc1F)C(N)c1ccccc1
InChIInChI=1S/C15H16FNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3
InChIKeyQTYIZEVCGIDWKE-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine

2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine (PubChem CID 64622029) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
PubChem CID64622029
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
SMILESCC(Sc1ccccc1F)C(N)c1ccccc1
InChIInChI=1S/C15H16FNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3
InChIKeyQTYIZEVCGIDWKE-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64612670
2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64628806
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64648296
1-(1-bromoethylsulfanyl)-2-fluorobenzene
CID 70101466
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64634885
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 114930765
N-ethyl-3-(2-fluorophenyl)sulfanylbutan-2-amine
CID 64621445
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
CID 79357614
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine (CID 64622029) is 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine is CC(Sc1ccccc1F)C(N)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine?
The InChIKey is QTYIZEVCGIDWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11(15(17)12-7-3-2-4-8-12)18-14-10-6-5-9-13(14)16/h2-11,15H,17H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine?
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine has a molecular weight of 261.37 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 2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64622029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).