N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine

C14H24N2OS — CID 55244631

IUPACN',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
SMILESCSc1ccccc1OCCNCCCN(C)C
InChIInChI=1S/C14H24N2OS/c1-16(2)11-6-9-15-10-12-17-13-7-4-5-8-14(13)18-3/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyJLRNOEPJHNMRQW-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.33
Rot. Bonds9

About N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine (PubChem CID 55244631) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
PubChem CID55244631
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
SMILESCSc1ccccc1OCCNCCCN(C)C
InChIInChI=1S/C14H24N2OS/c1-16(2)11-6-9-15-10-12-17-13-7-4-5-8-14(13)18-3/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKeyJLRNOEPJHNMRQW-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-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',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 60686608
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
2-hydroxy-3-[3-[2-(2-methylsulfanylphenoxy)ethylamino]propoxy]-2,3-dihydroindole-1-carbaldehyde
CID 88779467
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
4-bromo-N-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63648942
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N'-[2-(2-benzylphenoxy)ethyl]-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 69276301

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine (CID 55244631) is N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine is CSc1ccccc1OCCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine?
The InChIKey is JLRNOEPJHNMRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-16(2)11-6-9-15-10-12-17-13-7-4-5-8-14(13)18-3/h4-5,7-8,15H,6,9-12H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 55244631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).