4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine

C18H24N2S — CID 79227267

IUPAC4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCSc2ccccc2)cc1
InChIInChI=1S/C18H24N2S/c1-3-20(4-2)17-12-10-16(11-13-17)19-14-15-21-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyZUGVPICMCUPJFL-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.74
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine (PubChem CID 79227267) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
PubChem CID79227267
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCSc2ccccc2)cc1
InChIInChI=1S/C18H24N2S/c1-3-20(4-2)17-12-10-16(11-13-17)19-14-15-21-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyZUGVPICMCUPJFL-UHFFFAOYSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-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

N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
4-N,4-N-diethyl-1-N-(3-methylsulfanylpropyl)benzene-1,4-diamine
CID 43680115
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
N-[2-(4-tert-butylphenyl)sulfanylethyl]aniline
CID 63515630
N-[2-(4-bromophenyl)sulfanylethyl]aniline
CID 55092644
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine (CID 79227267) is 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine is CCN(CC)c1ccc(NCCSc2ccccc2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine?
The InChIKey is ZUGVPICMCUPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-3-20(4-2)17-12-10-16(11-13-17)19-14-15-21-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine has a molecular weight of 300.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine is sourced from PubChem (CID 79227267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).