N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine

C17H19F2NS — CID 106849072

IUPACN-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SCC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-17(13-9-14(18)11-15(19)10-13)12-5-7-16(8-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyWYUIFDZFSUUYLO-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.78
Rot. Bonds6

About N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine (PubChem CID 106849072) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
PubChem CID106849072
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(SCC)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H19F2NS/c1-3-20-17(13-9-14(18)11-15(19)10-13)12-5-7-16(8-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3
InChIKeyWYUIFDZFSUUYLO-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
N-[(3,5-difluorophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489212
[(4-ethylsulfanylphenyl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 106850374
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methanol
CID 106848139
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 43494532
N-[(3-bromo-4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79747602

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine (CID 106849072) is N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine is CCNC(c1ccc(SCC)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine?
The InChIKey is WYUIFDZFSUUYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-20-17(13-9-14(18)11-15(19)10-13)12-5-7-16(8-6-12)21-4-2/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(4-ethylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 106849072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).