N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine

C16H28N2O — CID 79087818

IUPACN',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-6-18(7-2)11-10-15(17-4)14-12-13(3)8-9-16(14)19-5/h8-9,12,15,17H,6-7,10-11H2,1-5H3
InChIKeyQMHZDYXWCXKPMT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.00
Rot. Bonds8

About N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine

N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine (PubChem CID 79087818) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
PubChem CID79087818
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
SMILESCCN(CC)CCC(NC)c1cc(C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-6-18(7-2)11-10-15(17-4)14-12-13(3)8-9-16(14)19-5/h8-9,12,15,17H,6-7,10-11H2,1-5H3
InChIKeyQMHZDYXWCXKPMT-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79188328
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine (CID 79087818) is N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine is CCN(CC)CCC(NC)c1cc(C)ccc1OC.
What is the InChIKey of N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine?
The InChIKey is QMHZDYXWCXKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18(7-2)11-10-15(17-4)14-12-13(3)8-9-16(14)19-5/h8-9,12,15,17H,6-7,10-11H2,1-5H3.
What are the key properties of N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine?
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 79087818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).