1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine

C15H26N2O — CID 116949052

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1c(C)cc(C)cc1OC)C(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-10-7-11(2)13(12(8-10)18-6)14(17-5)15(3,4)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyMMZXFZYQXUEDFE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine

1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine (PubChem CID 116949052) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
PubChem CID116949052
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1c(C)cc(C)cc1OC)C(C)(C)CN
InChIInChI=1S/C15H26N2O/c1-10-7-11(2)13(12(8-10)18-6)14(17-5)15(3,4)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyMMZXFZYQXUEDFE-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 116949010
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine (CID 116949052) is 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine is CNC(c1c(C)cc(C)cc1OC)C(C)(C)CN.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The InChIKey is MMZXFZYQXUEDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-7-11(2)13(12(8-10)18-6)14(17-5)15(3,4)9-16/h7-8,14,17H,9,16H2,1-6H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.56, 5 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,2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116949052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).