2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine

C16H20N2OS — CID 58604149

IUPAC2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(Nc2ccccc2)cc1S(C)=O
InChIInChI=1S/C16H20N2OS/c1-12(2)17-15-10-9-14(11-16(15)20(3)19)18-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3
InChIKeyHMIYBDGJWFVNRE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.99
Rot. Bonds5

About 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine

2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 58604149) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID58604149
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(Nc2ccccc2)cc1S(C)=O
InChIInChI=1S/C16H20N2OS/c1-12(2)17-15-10-9-14(11-16(15)20(3)19)18-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3
InChIKeyHMIYBDGJWFVNRE-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-methylsulfinylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 100976473
2-cyclohexylsulfanyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 134879151
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
N-phenyl-4-(1-phenylethyl)aniline
CID 3017553
N-phenyl-3,4-di(propan-2-yl)aniline
CID 139833806
1-N,4-N-diphenyl-2-phenylsulfanylbenzene-1,4-diamine
CID 12035327
2-[4-[4-(2,5-dianilinophenyl)sulfanylphenyl]sulfanylphenyl]sulfanyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 11251278
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 167009511
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 58604149) is 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1ccc(Nc2ccccc2)cc1S(C)=O.
What is the InChIKey of 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is HMIYBDGJWFVNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(2)17-15-10-9-14(11-16(15)20(3)19)18-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3.
What are the key properties of 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine?
2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4-N-phenyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 58604149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).