anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride

C16H24Cl2N2O2 — CID 173428385

IUPACanisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
SMILESCOc1c(N)cc(C)c(N)c1C.COc1ccccc1.Cl.Cl
InChIInChI=1S/C9H14N2O.C7H8O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;1-8-7-5-3-2-4-6-7;;/h4H,10-11H2,1-3H3;2-6H,1H3;2*1H
InChIKeyCFCNHHFPAUHBEK-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.02
Rot. Bonds2

About anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride

anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride (PubChem CID 173428385) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Nameanisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
PubChem CID173428385
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Nameanisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride
SMILESCOc1c(N)cc(C)c(N)c1C.COc1ccccc1.Cl.Cl
InChIInChI=1S/C9H14N2O.C7H8O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;1-8-7-5-3-2-4-6-7;;/h4H,10-11H2,1-3H3;2-6H,1H3;2*1H
InChIKeyCFCNHHFPAUHBEK-UHFFFAOYSA-N
XLogP4.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The IUPAC name of anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride (CID 173428385) is anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The canonical SMILES for anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride is COc1c(N)cc(C)c(N)c1C.COc1ccccc1.Cl.Cl.
What is the InChIKey of anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
The InChIKey is CFCNHHFPAUHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C7H8O.2ClH/c1-5-4-7(10)9(12-3)6(2)8(5)11;1-8-7-5-3-2-4-6-7;;/h4H,10-11H2,1-3H3;2-6H,1H3;2*1H.
What are the key properties of anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride?
anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-methoxy-3,5-dimethylbenzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 173428385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).