1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C16H28N2O — CID 116945907

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H28N2O/c1-10(2)13(9-18-5)16(17)15-12(4)7-11(3)8-14(15)19-6/h7-8,10,13,16,18H,9,17H2,1-6H3
InChIKeyRVKWPTQEXUBITF-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.80
Rot. Bonds6

About 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945907) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945907
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(C(C)C)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H28N2O/c1-10(2)13(9-18-5)16(17)15-12(4)7-11(3)8-14(15)19-6/h7-8,10,13,16,18H,9,17H2,1-6H3
InChIKeyRVKWPTQEXUBITF-UHFFFAOYSA-N
XLogP2.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine with MolForge

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Related Compounds

2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
1-(2,4-dimethoxyphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945878
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
[2,2-difluoro-1-(2-methoxy-4,6-dimethylphenyl)ethyl]hydrazine
CID 106682824

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 116945907) is 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CNCC(C(C)C)C(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is RVKWPTQEXUBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)13(9-18-5)16(17)15-12(4)7-11(3)8-14(15)19-6/h7-8,10,13,16,18H,9,17H2,1-6H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).