N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine

C17H20FNS — CID 106849127

IUPACN-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(SCC)cc1
InChIInChI=1S/C17H20FNS/c1-3-19-17(13-5-9-15(18)10-6-13)14-7-11-16(12-8-14)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyBHHFQXBELCSYDE-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.64
Rot. Bonds6

About N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine

N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 106849127) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID106849127
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(SCC)cc1
InChIInChI=1S/C17H20FNS/c1-3-19-17(13-5-9-15(18)10-6-13)14-7-11-16(12-8-14)20-4-2/h5-12,17,19H,3-4H2,1-2H3
InChIKeyBHHFQXBELCSYDE-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
CID 106849072
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
CID 66073273
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine (CID 106849127) is N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccc(SCC)cc1.
What is the InChIKey of N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is BHHFQXBELCSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-3-19-17(13-5-9-15(18)10-6-13)14-7-11-16(12-8-14)20-4-2/h5-12,17,19H,3-4H2,1-2H3.
What are the key properties of N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).