2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine

C13H22N2O2 — CID 117039909

IUPAC2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)CN)c(OC)c1C
InChIInChI=1S/C13H22N2O2/c1-9(8-14)15(3)11-6-7-12(16-4)10(2)13(11)17-5/h6-7,9H,8,14H2,1-5H3
InChIKeyJNBFTYCSBZJSPP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds5

About 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine

2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039909) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID117039909
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1ccc(N(C)C(C)CN)c(OC)c1C
InChIInChI=1S/C13H22N2O2/c1-9(8-14)15(3)11-6-7-12(16-4)10(2)13(11)17-5/h6-7,9H,8,14H2,1-5H3
InChIKeyJNBFTYCSBZJSPP-UHFFFAOYSA-N
XLogP1.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
1-N-(4-methoxy-2,3-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196412
2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
CID 115216133
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
2-N-(5-chloro-4-methoxy-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039891
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
2-(aminomethyl)-1-(2,4-dimethoxy-3-methylphenyl)butan-1-one
CID 116923190
2-N-(3-chloro-4-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 82021046
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylethanesulfonamide
CID 96679566
N'-(2,4-dimethoxy-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252337
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine (CID 117039909) is 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine is COc1ccc(N(C)C(C)CN)c(OC)c1C.
What is the InChIKey of 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is JNBFTYCSBZJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(8-14)15(3)11-6-7-12(16-4)10(2)13(11)17-5/h6-7,9H,8,14H2,1-5H3.
What are the key properties of 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).