2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

C14H22FNOS — CID 65132898

IUPAC2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNOS/c1-14(2,3)18-9-12(16-4)10-6-7-13(17-5)11(15)8-10/h6-8,12,16H,9H2,1-5H3
InChIKeyJIJPGDJGTVONKP-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.63
Rot. Bonds5

About 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine

2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 65132898) has the molecular formula C14H22FNOS and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID65132898
Molecular FormulaC14H22FNOS
Molecular Weight271.40 g/mol
Exact Mass271.14
IUPAC Name2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNOS/c1-14(2,3)18-9-12(16-4)10-6-7-13(17-5)11(15)8-10/h6-8,12,16H,9H2,1-5H3
InChIKeyJIJPGDJGTVONKP-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
1-(3-fluoro-4-methoxyphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 55261480
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propane-1-thiol
CID 116831365
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
5-(3-fluoro-4-methoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956141
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-propoxyethanamine
CID 62797505
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105037077
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 65132898) is 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(CSC(C)(C)C)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JIJPGDJGTVONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNOS/c1-14(2,3)18-9-12(16-4)10-6-7-13(17-5)11(15)8-10/h6-8,12,16H,9H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 271.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 65132898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).