4-[(4-methylsulfanylphenyl)methoxy]aniline

C14H15NOS — CID 54908756

IUPAC4-[(4-methylsulfanylphenyl)methoxy]aniline
SMILESCSc1ccc(COc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NOS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9H,10,15H2,1H3
InChIKeyGHMWNCOSHISSOQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.57
Rot. Bonds4

About 4-[(4-methylsulfanylphenyl)methoxy]aniline

4-[(4-methylsulfanylphenyl)methoxy]aniline (PubChem CID 54908756) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[(4-methylsulfanylphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(4-methylsulfanylphenyl)methoxy]aniline
PubChem CID54908756
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-[(4-methylsulfanylphenyl)methoxy]aniline
SMILESCSc1ccc(COc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15NOS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9H,10,15H2,1H3
InChIKeyGHMWNCOSHISSOQ-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
CID 69309683
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
4-(phenoxymethyl)aniline
CID 12712561
4-phenylmethoxyaniline
CID 159966727
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
CID 144638025
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
[5-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 63648050

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfanylphenyl)methoxy]aniline?
The IUPAC name of 4-[(4-methylsulfanylphenyl)methoxy]aniline (CID 54908756) is 4-[(4-methylsulfanylphenyl)methoxy]aniline.
What is the SMILES notation for 4-[(4-methylsulfanylphenyl)methoxy]aniline?
The canonical SMILES for 4-[(4-methylsulfanylphenyl)methoxy]aniline is CSc1ccc(COc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(4-methylsulfanylphenyl)methoxy]aniline?
The InChIKey is GHMWNCOSHISSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9H,10,15H2,1H3.
What are the key properties of 4-[(4-methylsulfanylphenyl)methoxy]aniline?
4-[(4-methylsulfanylphenyl)methoxy]aniline has a molecular weight of 245.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfanylphenyl)methoxy]aniline is sourced from PubChem (CID 54908756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).