3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

C15H26N2OS — CID 112658105

IUPAC3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)CCSC)cc1
InChIInChI=1S/C15H26N2OS/c1-15(12-16,17(2)9-10-19-4)11-13-5-7-14(18-3)8-6-13/h5-8H,9-12,16H2,1-4H3
InChIKeyZEEOCMNKJOKWAR-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.25
Rot. Bonds8

About 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 112658105) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID112658105
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)CCSC)cc1
InChIInChI=1S/C15H26N2OS/c1-15(12-16,17(2)9-10-19-4)11-13-5-7-14(18-3)8-6-13/h5-8H,9-12,16H2,1-4H3
InChIKeyZEEOCMNKJOKWAR-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 63272919
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865
2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658217
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752096
1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
CID 84747739
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 112658105) is 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is COc1ccc(CC(C)(CN)N(C)CCSC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is ZEEOCMNKJOKWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(12-16,17(2)9-10-19-4)11-13-5-7-14(18-3)8-6-13/h5-8H,9-12,16H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 282.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 112658105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).