N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

C17H20FNS — CID 63645700

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNS/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3
InChIKeyVBNQVUAEYOFQBZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.71
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 63645700) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID63645700
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNS/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3
InChIKeyVBNQVUAEYOFQBZ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
1-(3,4-difluorophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62121099
4-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzoic acid
CID 65347964
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
N-[3-[1-[(3-fluoro-4-methylphenyl)methylamino]ethyl]phenyl]acetamide
CID 119126610
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 63645700) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(C)NCc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is VBNQVUAEYOFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63645700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).