1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

C15H26N2O2 — CID 116904559

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cc(C)c(C(N(C)C)C(C)(C)N)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-10-8-11(18-6)9-12(19-7)13(10)14(17(4)5)15(2,3)16/h8-9,14H,16H2,1-7H3
InChIKeyBDQZTFCRDZTRRY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.35
Rot. Bonds5

About 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine

1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (PubChem CID 116904559) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
PubChem CID116904559
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cc(C)c(C(N(C)C)C(C)(C)N)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-10-8-11(18-6)9-12(19-7)13(10)14(17(4)5)15(2,3)16/h8-9,14H,16H2,1-7H3
InChIKeyBDQZTFCRDZTRRY-UHFFFAOYSA-N
XLogP2.35
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904584
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
CID 116868681
1-bromo-N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 116915081
1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904570
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
N-[1-(2,4-dimethoxy-6-methylphenyl)-2-hydroxyethyl]-N-methylacetamide
CID 116860900

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine (CID 116904559) is 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is COc1cc(C)c(C(N(C)C)C(C)(C)N)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
The InChIKey is BDQZTFCRDZTRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-8-11(18-6)9-12(19-7)13(10)14(17(4)5)15(2,3)16/h8-9,14H,16H2,1-7H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine?
1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116904559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).