2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline

C14H16N2S2 — CID 4556111

IUPAC2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline
SMILESCc1ccc(SSc2cc(C)ccc2N)c(N)c1
InChIInChI=1S/C14H16N2S2/c1-9-4-6-13(12(16)7-9)17-18-14-8-10(2)3-5-11(14)15/h3-8H,15-16H2,1-2H3
InChIKeyJVMVDEPSFNPRMS-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.27
Rot. Bonds3

About 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline

2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline (PubChem CID 4556111) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline
PubChem CID4556111
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline
SMILESCc1ccc(SSc2cc(C)ccc2N)c(N)c1
InChIInChI=1S/C14H16N2S2/c1-9-4-6-13(12(16)7-9)17-18-14-8-10(2)3-5-11(14)15/h3-8H,15-16H2,1-2H3
InChIKeyJVMVDEPSFNPRMS-UHFFFAOYSA-N
XLogP4.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline?
The IUPAC name of 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline (CID 4556111) is 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline.
What is the SMILES notation for 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline?
The canonical SMILES for 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline is Cc1ccc(SSc2cc(C)ccc2N)c(N)c1.
What is the InChIKey of 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline?
The InChIKey is JVMVDEPSFNPRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-9-4-6-13(12(16)7-9)17-18-14-8-10(2)3-5-11(14)15/h3-8H,15-16H2,1-2H3.
What are the key properties of 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline?
2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline has a molecular weight of 276.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylphenyl)disulfanyl]-4-methylaniline is sourced from PubChem (CID 4556111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).