[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium

C11H17N2O+ — CID 6347155

IUPAC[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
SMILESCOc1cc(C)c(CC(N)=[NH2+])cc1C
InChIInChI=1S/C11H16N2O/c1-7-5-10(14-3)8(2)4-9(7)6-11(12)13/h4-5H,6H2,1-3H3,(H3,12,13)/p+1
InChIKeyOMYXANROWHOJPP-UHFFFAOYSA-O
MW193.27 g/mol
LogP-0.03
Rot. Bonds3

About [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium

[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium (PubChem CID 6347155) has the molecular formula C11H17N2O+ and a molecular weight of 193.27 g/mol. Its IUPAC name is [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
PubChem CID6347155
Molecular FormulaC11H17N2O+
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
SMILESCOc1cc(C)c(CC(N)=[NH2+])cc1C
InChIInChI=1S/C11H16N2O/c1-7-5-10(14-3)8(2)4-9(7)6-11(12)13/h4-5H,6H2,1-3H3,(H3,12,13)/p+1
InChIKeyOMYXANROWHOJPP-UHFFFAOYSA-O
XLogP-0.03
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium
CID 6347166
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium?
The IUPAC name of [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium (CID 6347155) is [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium.
What is the SMILES notation for [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium?
The canonical SMILES for [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium is COc1cc(C)c(CC(N)=[NH2+])cc1C.
What is the InChIKey of [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium?
The InChIKey is OMYXANROWHOJPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H16N2O/c1-7-5-10(14-3)8(2)4-9(7)6-11(12)13/h4-5H,6H2,1-3H3,(H3,12,13)/p+1.
What are the key properties of [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium?
[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium has a molecular weight of 193.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium is sourced from PubChem (CID 6347155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).