2-[2-(2-methylsulfanylphenoxy)ethyl]aniline

C15H17NOS — CID 63649319

IUPAC2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
SMILESCSc1ccccc1OCCc1ccccc1N
InChIInChI=1S/C15H17NOS/c1-18-15-9-5-4-8-14(15)17-11-10-12-6-2-3-7-13(12)16/h2-9H,10-11,16H2,1H3
InChIKeyLJDPTXMUNGNJHO-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline

2-[2-(2-methylsulfanylphenoxy)ethyl]aniline (PubChem CID 63649319) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
PubChem CID63649319
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
SMILESCSc1ccccc1OCCc1ccccc1N
InChIInChI=1S/C15H17NOS/c1-18-15-9-5-4-8-14(15)17-11-10-12-6-2-3-7-13(12)16/h2-9H,10-11,16H2,1H3
InChIKeyLJDPTXMUNGNJHO-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoic acid
CID 104825491
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
1-but-3-ynoxy-2-methylsulfanylbenzene
CID 63649311
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
4-[2-(2-methylsulfanylphenoxy)ethoxy]benzenecarbothioamide
CID 63647307
2-(2-ethoxyethyl)aniline
CID 14619442
2-(2-pentan-3-yloxyethyl)aniline
CID 102902683
1-(2-azidoethoxy)-2-methylsulfanylbenzene
CID 63648483
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
2-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62497603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline?
The IUPAC name of 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline (CID 63649319) is 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline?
The canonical SMILES for 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline is CSc1ccccc1OCCc1ccccc1N.
What is the InChIKey of 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline?
The InChIKey is LJDPTXMUNGNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-18-15-9-5-4-8-14(15)17-11-10-12-6-2-3-7-13(12)16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline?
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline has a molecular weight of 259.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylsulfanylphenoxy)ethyl]aniline is sourced from PubChem (CID 63649319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).