2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine

C13H22N2O3 — CID 117039940

IUPAC2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
SMILESCOc1cc(OC)c(N(C)C(C)CN)cc1OC
InChIInChI=1S/C13H22N2O3/c1-9(8-14)15(2)10-6-12(17-4)13(18-5)7-11(10)16-3/h6-7,9H,8,14H2,1-5H3
InChIKeyVMDSRZKMYYJWTA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.50
Rot. Bonds6

About 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine

2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine (PubChem CID 117039940) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
PubChem CID117039940
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
SMILESCOc1cc(OC)c(N(C)C(C)CN)cc1OC
InChIInChI=1S/C13H22N2O3/c1-9(8-14)15(2)10-6-12(17-4)13(18-5)7-11(10)16-3/h6-7,9H,8,14H2,1-5H3
InChIKeyVMDSRZKMYYJWTA-UHFFFAOYSA-N
XLogP1.50
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
CID 117040233
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
2-N-methyl-2-N-(2,4,6-trimethoxyphenyl)propane-1,2-diamine
CID 117039921
2-N-(2-methoxy-4,5-dimethylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138015
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
CID 117349624
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 112510147
3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine (CID 117039940) is 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine is COc1cc(OC)c(N(C)C(C)CN)cc1OC.
What is the InChIKey of 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine?
The InChIKey is VMDSRZKMYYJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(8-14)15(2)10-6-12(17-4)13(18-5)7-11(10)16-3/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine?
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 117039940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).