N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline

C16H19NOS — CID 79403547

IUPACN,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
SMILESCN(C)c1cccc(OCCSc2ccccc2)c1
InChIInChI=1S/C16H19NOS/c1-17(2)14-7-6-8-15(13-14)18-11-12-19-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3
InChIKeyFHTRRSZDAXIFIK-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.92
Rot. Bonds6

About N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline

N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline (PubChem CID 79403547) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
PubChem CID79403547
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
SMILESCN(C)c1cccc(OCCSc2ccccc2)c1
InChIInChI=1S/C16H19NOS/c1-17(2)14-7-6-8-15(13-14)18-11-12-19-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3
InChIKeyFHTRRSZDAXIFIK-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
2-[3-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79228830
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
4-(2-phenylsulfanylethoxy)benzene-1,2-diamine
CID 21496504
2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 79211754
3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
5-(2-phenylsulfanylethoxy)-1,3-benzodioxole
CID 79404002
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline?
The IUPAC name of N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline (CID 79403547) is N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline.
What is the SMILES notation for N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline?
The canonical SMILES for N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline is CN(C)c1cccc(OCCSc2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline?
The InChIKey is FHTRRSZDAXIFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17(2)14-7-6-8-15(13-14)18-11-12-19-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline?
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline has a molecular weight of 273.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline is sourced from PubChem (CID 79403547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).