4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine

C14H16N2OS — CID 69309683

IUPAC4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
SMILESCSc1ccc(COc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H16N2OS/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-8H,9,15-16H2,1H3
InChIKeyUCOYRIJVVYRZTL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.15
Rot. Bonds4

About 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine

4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine (PubChem CID 69309683) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
PubChem CID69309683
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine
SMILESCSc1ccc(COc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H16N2OS/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-8H,9,15-16H2,1H3
InChIKeyUCOYRIJVVYRZTL-UHFFFAOYSA-N
XLogP3.15
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
4-[(4-methylsulfanylphenoxy)methyl]-2-nitroaniline
CID 63649231
3-methoxy-5-[(4-methylsulfanylphenoxy)methyl]aniline
CID 81150277
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63649226
3-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]-1,2-oxazol-4-amine
CID 144638025
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
2-chloro-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]aniline
CID 168863796
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine?
The IUPAC name of 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine (CID 69309683) is 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine.
What is the SMILES notation for 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine?
The canonical SMILES for 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine is CSc1ccc(COc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine?
The InChIKey is UCOYRIJVVYRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-8H,9,15-16H2,1H3.
What are the key properties of 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine?
4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine has a molecular weight of 260.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfanylphenyl)methoxy]benzene-1,2-diamine is sourced from PubChem (CID 69309683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).