4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine

C11H18N2O — CID 134239209

IUPAC4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
SMILESCCCNc1ccc(OC)cc1NC
InChIInChI=1S/C11H18N2O/c1-4-7-13-10-6-5-9(14-3)8-11(10)12-2/h5-6,8,12-13H,4,7H2,1-3H3
InChIKeyAZJJIGMUYKPYLM-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.56
Rot. Bonds5

About 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine

4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine (PubChem CID 134239209) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
PubChem CID134239209
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine
SMILESCCCNc1ccc(OC)cc1NC
InChIInChI=1S/C11H18N2O/c1-4-7-13-10-6-5-9(14-3)8-11(10)12-2/h5-6,8,12-13H,4,7H2,1-3H3
InChIKeyAZJJIGMUYKPYLM-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

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2,4-dimethoxy-N-methylaniline;ethane
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2-fluoro-4-methoxy-N-methylaniline;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine?
The IUPAC name of 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine (CID 134239209) is 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine is CCCNc1ccc(OC)cc1NC.
What is the InChIKey of 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine?
The InChIKey is AZJJIGMUYKPYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-7-13-10-6-5-9(14-3)8-11(10)12-2/h5-6,8,12-13H,4,7H2,1-3H3.
What are the key properties of 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine?
4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N-methyl-1-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 134239209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).