N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline

C16H19NO2S — CID 60681036

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
SMILESCOc1ccc(OCCNc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H19NO2S/c1-18-14-5-7-15(8-6-14)19-12-11-17-13-3-9-16(20-2)10-4-13/h3-10,17H,11-12H2,1-2H3
InChIKeyIENBOFBMCJVXAA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.91
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline

N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline (PubChem CID 60681036) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
PubChem CID60681036
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
SMILESCOc1ccc(OCCNc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H19NO2S/c1-18-14-5-7-15(8-6-14)19-12-11-17-13-3-9-16(20-2)10-4-13/h3-10,17H,11-12H2,1-2H3
InChIKeyIENBOFBMCJVXAA-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 62327458
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine
CID 60728035
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline (CID 60681036) is N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline is COc1ccc(OCCNc2ccc(SC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline?
The InChIKey is IENBOFBMCJVXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-14-5-7-15(8-6-14)19-12-11-17-13-3-9-16(20-2)10-4-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline?
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline has a molecular weight of 289.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline is sourced from PubChem (CID 60681036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).