(5-ethyl-2-methoxyphenyl)iminoazanium

C9H13N2O+ — CID 18737677

IUPAC(5-ethyl-2-methoxyphenyl)iminoazanium
SMILESCCc1ccc(OC)c(N=[NH2+])c1
InChIInChI=1S/C9H12N2O/c1-3-7-4-5-9(12-2)8(6-7)11-10/h4-6,10H,3H2,1-2H3/p+1
InChIKeyQHJLBTQUBWOMRJ-UHFFFAOYSA-O
MW165.22 g/mol
LogP1.10
Rot. Bonds3

About (5-ethyl-2-methoxyphenyl)iminoazanium

(5-ethyl-2-methoxyphenyl)iminoazanium (PubChem CID 18737677) has the molecular formula C9H13N2O+ and a molecular weight of 165.22 g/mol. Its IUPAC name is (5-ethyl-2-methoxyphenyl)iminoazanium.

Molecular Properties

Compound Name(5-ethyl-2-methoxyphenyl)iminoazanium
PubChem CID18737677
Molecular FormulaC9H13N2O+
Molecular Weight165.22 g/mol
Exact Mass165.10
IUPAC Name(5-ethyl-2-methoxyphenyl)iminoazanium
SMILESCCc1ccc(OC)c(N=[NH2+])c1
InChIInChI=1S/C9H12N2O/c1-3-7-4-5-9(12-2)8(6-7)11-10/h4-6,10H,3H2,1-2H3/p+1
InChIKeyQHJLBTQUBWOMRJ-UHFFFAOYSA-O
XLogP1.10
TPSA47.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(5-ethyl-2-methoxyphenyl)-[4-(trihydroxy-λ4-sulfanyl)phenyl]diazene
CID 20589185
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
5-ethyl-2-methoxybenzoic acid
CID 20721149
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
5-ethyl-2-methoxybenzenesulfinamide
CID 170149916
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
2-(4-ethyl-2-methoxyphenoxy)-N,2-dimethylpropan-1-amine
CID 107668292

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methoxyphenyl)iminoazanium?
The IUPAC name of (5-ethyl-2-methoxyphenyl)iminoazanium (CID 18737677) is (5-ethyl-2-methoxyphenyl)iminoazanium.
What is the SMILES notation for (5-ethyl-2-methoxyphenyl)iminoazanium?
The canonical SMILES for (5-ethyl-2-methoxyphenyl)iminoazanium is CCc1ccc(OC)c(N=[NH2+])c1.
What is the InChIKey of (5-ethyl-2-methoxyphenyl)iminoazanium?
The InChIKey is QHJLBTQUBWOMRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2O/c1-3-7-4-5-9(12-2)8(6-7)11-10/h4-6,10H,3H2,1-2H3/p+1.
What are the key properties of (5-ethyl-2-methoxyphenyl)iminoazanium?
(5-ethyl-2-methoxyphenyl)iminoazanium has a molecular weight of 165.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methoxyphenyl)iminoazanium is sourced from PubChem (CID 18737677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).