1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine

C10H13F2NS — CID 63805016

IUPAC1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
SMILESCCSc1c(F)cc(CNC)cc1F
InChIInChI=1S/C10H13F2NS/c1-3-14-10-8(11)4-7(6-13-2)5-9(10)12/h4-5,13H,3,6H2,1-2H3
InChIKeyMTBMYHPIUCRDKA-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine

1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine (PubChem CID 63805016) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
PubChem CID63805016
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
SMILESCCSc1c(F)cc(CNC)cc1F
InChIInChI=1S/C10H13F2NS/c1-3-14-10-8(11)4-7(6-13-2)5-9(10)12/h4-5,13H,3,6H2,1-2H3
InChIKeyMTBMYHPIUCRDKA-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

N-[(4-ethylsulfanyl-3,5-difluorophenyl)methyl]propan-2-amine
CID 63807110
1-[4-[(4-chlorophenyl)methylsulfanyl]-3,5-difluorophenyl]-N-methylmethanamine
CID 114792404
1-[3,5-difluoro-4-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
CID 63855448
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
1-[4-(2,4-dimethylphenyl)sulfanyl-3,5-difluorophenyl]-N-methylmethanamine
CID 63804561
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
3-fluoro-2-methyl-5-(methylaminomethyl)phenol
CID 84765552
N-[[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methyl]ethanamine
CID 63807299
N-[[3,5-difluoro-4-(3-methylbutylsulfanyl)phenyl]methyl]ethanamine
CID 107761796
2-ethylsulfanyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050545
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine (CID 63805016) is 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine is CCSc1c(F)cc(CNC)cc1F.
What is the InChIKey of 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is MTBMYHPIUCRDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-3-14-10-8(11)4-7(6-13-2)5-9(10)12/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine?
1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine 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 1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63805016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).