1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine

C13H22N2O — CID 115196412

IUPAC1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)CC(C)N)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9(14)8-15(4)12-6-7-13(16-5)11(3)10(12)2/h6-7,9H,8,14H2,1-5H3
InChIKeyXCMODIBIBJJQJD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds4

About 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine

1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 115196412) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID115196412
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)CC(C)N)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9(14)8-15(4)12-6-7-13(16-5)11(3)10(12)2/h6-7,9H,8,14H2,1-5H3
InChIKeyXCMODIBIBJJQJD-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
N-[(1-aminocyclopropyl)methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115256537
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
1-N-(5-chloro-2-methoxy-4-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196394
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
1-N-(4-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196458
2-hydroxy-N-(4-methoxy-2,3-dimethylphenyl)-N-methylpropanamide
CID 115140531
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
1-N-(3-methoxy-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 83831005

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine (CID 115196412) is 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine is COc1ccc(N(C)CC(C)N)c(C)c1C.
What is the InChIKey of 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is XCMODIBIBJJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(14)8-15(4)12-6-7-13(16-5)11(3)10(12)2/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 115196412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).