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

C13H22N2O2 — CID 115196355

IUPAC1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
SMILESCOc1cc(NCC(C)N)c(OC)c(C)c1C
InChIInChI=1S/C13H22N2O2/c1-8(14)7-15-11-6-12(16-4)9(2)10(3)13(11)17-5/h6,8,15H,7,14H2,1-5H3
InChIKeyYZLFYKHGQMKNPI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.08
Rot. Bonds5

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

1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine (PubChem CID 115196355) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
PubChem CID115196355
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
SMILESCOc1cc(NCC(C)N)c(OC)c(C)c1C
InChIInChI=1S/C13H22N2O2/c1-8(14)7-15-11-6-12(16-4)9(2)10(3)13(11)17-5/h6,8,15H,7,14H2,1-5H3
InChIKeyYZLFYKHGQMKNPI-UHFFFAOYSA-N
XLogP2.08
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
3-(2,5-dimethoxy-3,4-dimethylanilino)propanenitrile
CID 115230722
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
N'-(2,5-dimethoxy-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252336
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine (CID 115196355) is 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine is COc1cc(NCC(C)N)c(OC)c(C)c1C.
What is the InChIKey of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine?
The InChIKey is YZLFYKHGQMKNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(14)7-15-11-6-12(16-4)9(2)10(3)13(11)17-5/h6,8,15H,7,14H2,1-5H3.
What are the key properties of 1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine?
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 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)propane-1,2-diamine is sourced from PubChem (CID 115196355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).