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

C16H28N2O — CID 116904584

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1C(N(C)C)C(C)(C)N
InChIInChI=1S/C16H28N2O/c1-10-9-11(2)13(14(19-8)12(10)3)15(18(6)7)16(4,5)17/h9,15H,17H2,1-8H3
InChIKeyNQZFCDFSLSZIDQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.96
Rot. Bonds4

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

1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (PubChem CID 116904584) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
PubChem CID116904584
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1c(C)c(C)cc(C)c1C(N(C)C)C(C)(C)N
InChIInChI=1S/C16H28N2O/c1-10-9-11(2)13(14(19-8)12(10)3)15(18(6)7)16(4,5)17/h9,15H,17H2,1-8H3
InChIKeyNQZFCDFSLSZIDQ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904559
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
4-(dimethylamino)-4-(2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116910149
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-(methylamino)acetate
CID 116857056

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (CID 116904584) is 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is COc1c(C)c(C)cc(C)c1C(N(C)C)C(C)(C)N.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The InChIKey is NQZFCDFSLSZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10-9-11(2)13(14(19-8)12(10)3)15(18(6)7)16(4,5)17/h9,15H,17H2,1-8H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116904584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).