[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium

C19H25N2O2+ — CID 20729283

IUPAC[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium
SMILESCCCCOc1cc(-c2ccc(OC)cc2C)c(C)cc1N=[NH2+]
InChIInChI=1S/C19H24N2O2/c1-5-6-9-23-19-12-17(14(3)11-18(19)21-20)16-8-7-15(22-4)10-13(16)2/h7-8,10-12,20H,5-6,9H2,1-4H3/p+1
InChIKeyUFWQIYLGUBNYKY-UHFFFAOYSA-O
MW313.42 g/mol
LogP4.00
Rot. Bonds7

About [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium

[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium (PubChem CID 20729283) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium.

Molecular Properties

Compound Name[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium
PubChem CID20729283
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium
SMILESCCCCOc1cc(-c2ccc(OC)cc2C)c(C)cc1N=[NH2+]
InChIInChI=1S/C19H24N2O2/c1-5-6-9-23-19-12-17(14(3)11-18(19)21-20)16-8-7-15(22-4)10-13(16)2/h7-8,10-12,20H,5-6,9H2,1-4H3/p+1
InChIKeyUFWQIYLGUBNYKY-UHFFFAOYSA-O
XLogP4.00
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dibutoxyphenyl)iminoazanium
CID 59821708
[2,5-didecoxy-4-(4-methylphenyl)phenyl]iminoazanium
CID 20729269
[3,6-dibutoxy-4-(2-chloro-4-methoxyphenyl)-2-methoxyphenyl]iminoazanium
CID 20729289
[3,6-diheptoxy-2-methoxy-4-(4-methoxyphenyl)phenyl]iminoazanium
CID 20729291
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
4-methoxy-2-methyl-1-(2-methylphenyl)benzene
CID 12981832
1-(2-butoxy-4-methoxyphenyl)-3-(2-methylphenyl)-2-nitrobenzene
CID 71044568
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
(3-methoxyphenyl)-(5-methoxy-2-propoxyphenyl)diazene
CID 72713700
2-(4-methoxy-2-methylphenyl)-5-propylpyrimidine
CID 56711184
5-methoxy-2-nonoxyaniline
CID 43128995

Frequently Asked Questions

What is the IUPAC name of [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium?
The IUPAC name of [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium (CID 20729283) is [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium.
What is the SMILES notation for [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium?
The canonical SMILES for [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium is CCCCOc1cc(-c2ccc(OC)cc2C)c(C)cc1N=[NH2+].
What is the InChIKey of [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium?
The InChIKey is UFWQIYLGUBNYKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-5-6-9-23-19-12-17(14(3)11-18(19)21-20)16-8-7-15(22-4)10-13(16)2/h7-8,10-12,20H,5-6,9H2,1-4H3/p+1.
What are the key properties of [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium?
[2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium has a molecular weight of 313.42 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butoxy-4-(4-methoxy-2-methylphenyl)-5-methylphenyl]iminoazanium is sourced from PubChem (CID 20729283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).