3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine

C17H18FNS — CID 54185362

IUPAC3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
SMILESCN(C)CC=C(Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNS/c1-19(2)13-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyPESOVPNXOPFZLT-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.52
Rot. Bonds5

About 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine

3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine (PubChem CID 54185362) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
PubChem CID54185362
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
SMILESCN(C)CC=C(Sc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNS/c1-19(2)13-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyPESOVPNXOPFZLT-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine (CID 54185362) is 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine is CN(C)CC=C(Sc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The InChIKey is PESOVPNXOPFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-19(2)13-12-17(14-8-10-15(18)11-9-14)20-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 54185362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).