2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C16H28N2O — CID 115132578

IUPAC2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11-9-14(12(2)13(3)15(11)19-8)18(7)16(4,5)10-17-6/h9,17H,10H2,1-8H3
InChIKeyVKCBXSWSZNPMTE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.05
Rot. Bonds5

About 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132578) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132578
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11-9-14(12(2)13(3)15(11)19-8)18(7)16(4,5)10-17-6/h9,17H,10H2,1-8H3
InChIKeyVKCBXSWSZNPMTE-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
2-(4-methoxy-N,2,3,5-tetramethylanilino)ethanethiol
CID 115223814
2-(4-methoxy-N,2,3,5-tetramethylanilino)acetonitrile
CID 115130861
2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
CID 115251353
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
2-(4-methoxy-N,2,3,5-tetramethylanilino)-2-oxoacetic acid
CID 115141236
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132578) is 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is VKCBXSWSZNPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-9-14(12(2)13(3)15(11)19-8)18(7)16(4,5)10-17-6/h9,17H,10H2,1-8H3.
What are the key properties of 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).