2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine

C17H22N2S — CID 43726515

IUPAC2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
SMILESCSc1ccc(C(C)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C17H22N2S/c1-13(14-9-11-15(20-4)12-10-14)18-16-7-5-6-8-17(16)19(2)3/h5-13,18H,1-4H3
InChIKeyPDYFVSJIHFISQS-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.65
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine

2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine (PubChem CID 43726515) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
PubChem CID43726515
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
SMILESCSc1ccc(C(C)Nc2ccccc2N(C)C)cc1
InChIInChI=1S/C17H22N2S/c1-13(14-9-11-15(20-4)12-10-14)18-16-7-5-6-8-17(16)19(2)3/h5-13,18H,1-4H3
InChIKeyPDYFVSJIHFISQS-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine (CID 43726515) is 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine is CSc1ccc(C(C)Nc2ccccc2N(C)C)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is PDYFVSJIHFISQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(14-9-11-15(20-4)12-10-14)18-16-7-5-6-8-17(16)19(2)3/h5-13,18H,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine?
2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine has a molecular weight of 286.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[1-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 43726515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).