(3-methoxyphenyl)methylidene-dimethylazanium iodide

C10H14INO — CID 13184830

IUPAC(3-methoxyphenyl)methylidene-dimethylazanium iodide
SMILESCOc1cccc(C=[N+](C)C)c1.[I-]
InChIInChI=1S/C10H14NO.HI/c1-11(2)8-9-5-4-6-10(7-9)12-3;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyQCXRMSSFQJRNST-UHFFFAOYSA-M
MW291.13 g/mol
LogP-1.61
Rot. Bonds2

About (3-methoxyphenyl)methylidene-dimethylazanium iodide

(3-methoxyphenyl)methylidene-dimethylazanium iodide (PubChem CID 13184830) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is (3-methoxyphenyl)methylidene-dimethylazanium iodide.

Molecular Properties

Compound Name(3-methoxyphenyl)methylidene-dimethylazanium iodide
PubChem CID13184830
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name(3-methoxyphenyl)methylidene-dimethylazanium iodide
SMILESCOc1cccc(C=[N+](C)C)c1.[I-]
InChIInChI=1S/C10H14NO.HI/c1-11(2)8-9-5-4-6-10(7-9)12-3;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyQCXRMSSFQJRNST-UHFFFAOYSA-M
XLogP-1.61
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-N-methylmethanimine oxide
CID 4702337
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
CID 143675514
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
calcium;1,3-dimethoxybenzene;hydride
CID 174808068

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methylidene-dimethylazanium iodide?
The IUPAC name of (3-methoxyphenyl)methylidene-dimethylazanium iodide (CID 13184830) is (3-methoxyphenyl)methylidene-dimethylazanium iodide.
What is the SMILES notation for (3-methoxyphenyl)methylidene-dimethylazanium iodide?
The canonical SMILES for (3-methoxyphenyl)methylidene-dimethylazanium iodide is COc1cccc(C=[N+](C)C)c1.[I-].
What is the InChIKey of (3-methoxyphenyl)methylidene-dimethylazanium iodide?
The InChIKey is QCXRMSSFQJRNST-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14NO.HI/c1-11(2)8-9-5-4-6-10(7-9)12-3;/h4-8H,1-3H3;1H/q+1;/p-1.
What are the key properties of (3-methoxyphenyl)methylidene-dimethylazanium iodide?
(3-methoxyphenyl)methylidene-dimethylazanium iodide has a molecular weight of 291.13 g/mol, XLogP of -1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methylidene-dimethylazanium iodide is sourced from PubChem (CID 13184830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).