1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine

C15H26N2O2 — CID 115135839

IUPAC1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cc(N(C)CC(C)(C)N)c(OC)c(C)c1C
InChIInChI=1S/C15H26N2O2/c1-10-11(2)14(19-7)12(8-13(10)18-6)17(5)9-15(3,4)16/h8H,9,16H2,1-7H3
InChIKeyNKGBQJJMYIRRHA-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.49
Rot. Bonds5

About 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine

1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115135839) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115135839
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1cc(N(C)CC(C)(C)N)c(OC)c(C)c1C
InChIInChI=1S/C15H26N2O2/c1-10-11(2)14(19-7)12(8-13(10)18-6)17(5)9-15(3,4)16/h8H,9,16H2,1-7H3
InChIKeyNKGBQJJMYIRRHA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
CID 115225660
N-ethyl-2,5-dimethoxy-N,3,4-trimethylaniline
CID 115259380
2-(2,5-dimethoxy-N,3,4-trimethylanilino)ethanethiol
CID 115223892
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
methyl 2-(2,5-dimethoxy-N,3,4-trimethylanilino)acetate
CID 115232849
2-N-(4-methoxy-2,3,6-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131845
1-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115135785
2-(2,5-dimethoxy-3,6-dimethylphenyl)propan-2-amine
CID 117320504
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136038
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine (CID 115135839) is 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine is COc1cc(N(C)CC(C)(C)N)c(OC)c(C)c1C.
What is the InChIKey of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is NKGBQJJMYIRRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-11(2)14(19-7)12(8-13(10)18-6)17(5)9-15(3,4)16/h8H,9,16H2,1-7H3.
What are the key properties of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine?
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115135839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).