N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine

C10H13F2NS — CID 63812832

IUPACN-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)c(SC)c(F)c1
InChIInChI=1S/C10H13F2NS/c1-3-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyGHHGDONAHYJGAQ-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.80
Rot. Bonds4

About N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine

N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 63812832) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID63812832
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(F)c(SC)c(F)c1
InChIInChI=1S/C10H13F2NS/c1-3-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyGHHGDONAHYJGAQ-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
3-[4-(ethylaminomethyl)-2,6-difluorophenyl]sulfanylbutan-2-ol
CID 107772210
N-[[3,5-difluoro-4-(3-methylbutylsulfanyl)phenyl]methyl]ethanamine
CID 107761796
N-[[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methyl]ethanamine
CID 63807299
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3,5-difluoro-4-(3-methylphenyl)sulfanylphenyl]methyl]ethanamine
CID 63812673
N-[[4-(3-chlorophenyl)sulfanyl-3,5-difluorophenyl]methyl]ethanamine
CID 63807560
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
4-(ethylaminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986265
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 63808238
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine (CID 63812832) is N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine is CCNCc1cc(F)c(SC)c(F)c1.
What is the InChIKey of N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is GHHGDONAHYJGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-3-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3.
What are the key properties of N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine?
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 217.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 63812832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).