[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium

C9H13N2O2+ — CID 7219890

IUPAC[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
SMILESCOc1cccc(OCC(N)=[NH2+])c1
InChIInChI=1S/C9H12N2O2/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)/p+1
InChIKeyXGMBNYJZJKRHOQ-UHFFFAOYSA-O
MW181.21 g/mol
LogP-0.81
Rot. Bonds4

About [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium

[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium (PubChem CID 7219890) has the molecular formula C9H13N2O2+ and a molecular weight of 181.21 g/mol. Its IUPAC name is [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
PubChem CID7219890
Molecular FormulaC9H13N2O2+
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium
SMILESCOc1cccc(OCC(N)=[NH2+])c1
InChIInChI=1S/C9H12N2O2/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)/p+1
InChIKeyXGMBNYJZJKRHOQ-UHFFFAOYSA-O
XLogP-0.81
TPSA70.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
4-methoxy-3-[2-(3-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20984249
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
1-(2,6-difluorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43222244
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium?
The IUPAC name of [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium (CID 7219890) is [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium.
What is the SMILES notation for [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium?
The canonical SMILES for [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium is COc1cccc(OCC(N)=[NH2+])c1.
What is the InChIKey of [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium?
The InChIKey is XGMBNYJZJKRHOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O2/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3,(H3,10,11)/p+1.
What are the key properties of [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium?
[1-amino-2-(3-methoxyphenoxy)ethylidene]azanium has a molecular weight of 181.21 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(3-methoxyphenoxy)ethylidene]azanium is sourced from PubChem (CID 7219890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).