3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline

C15H17NO3S — CID 61302237

IUPAC3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
SMILESCOc1cccc(S(=O)CCOc2cccc(N)c2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-5-3-7-15(11-13)20(17)9-8-19-14-6-2-4-12(16)10-14/h2-7,10-11H,8-9,16H2,1H3
InChIKeyLKEWAGISNRLUCV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.46
Rot. Bonds6

About 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline

3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline (PubChem CID 61302237) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
PubChem CID61302237
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline
SMILESCOc1cccc(S(=O)CCOc2cccc(N)c2)c1
InChIInChI=1S/C15H17NO3S/c1-18-13-5-3-7-15(11-13)20(17)9-8-19-14-6-2-4-12(16)10-14/h2-7,10-11H,8-9,16H2,1H3
InChIKeyLKEWAGISNRLUCV-UHFFFAOYSA-N
XLogP2.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61288690
3-[2-(4-methylphenyl)sulfinylethoxy]aniline
CID 61303191
3-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethoxy]aniline
CID 61288016
3-(2-ethylsulfinylethoxy)aniline
CID 61303448
3-[2-(4-nitrophenyl)sulfinylethoxy]aniline
CID 61289040
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
4-[2-(3-methylphenyl)sulfinylethoxy]aniline
CID 61289269
3-methoxyaniline;sulfane
CID 174447811
3-bromo-4-[(3-methoxyphenyl)sulfinylmethyl]aniline
CID 61303008
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014
3-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 81181267
3-(3-methoxyphenyl)sulfinyl-N-methylpropan-1-amine
CID 64659138

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline?
The IUPAC name of 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline (CID 61302237) is 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline?
The canonical SMILES for 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline is COc1cccc(S(=O)CCOc2cccc(N)c2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline?
The InChIKey is LKEWAGISNRLUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-18-13-5-3-7-15(11-13)20(17)9-8-19-14-6-2-4-12(16)10-14/h2-7,10-11H,8-9,16H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline?
3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline has a molecular weight of 291.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)sulfinylethoxy]aniline is sourced from PubChem (CID 61302237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).