4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline

C15H19N4O+ — CID 91014224

IUPAC4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(/N=N/c2ccc(C)c[n+]2C)c(C)cc1N
InChIInChI=1S/C15H18N4O/c1-10-5-6-15(19(3)9-10)18-17-13-8-14(20-4)12(16)7-11(13)2/h5-9,16H,1-4H3/p+1
InChIKeyAAMKKRHINBKFJI-UHFFFAOYSA-O
MW271.34 g/mol
LogP3.13
Rot. Bonds3

About 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline

4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline (PubChem CID 91014224) has the molecular formula C15H19N4O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline
PubChem CID91014224
Molecular FormulaC15H19N4O+
Molecular Weight271.34 g/mol
Exact Mass271.16
IUPAC Name4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(/N=N/c2ccc(C)c[n+]2C)c(C)cc1N
InChIInChI=1S/C15H18N4O/c1-10-5-6-15(19(3)9-10)18-17-13-8-14(20-4)12(16)7-11(13)2/h5-9,16H,1-4H3/p+1
InChIKeyAAMKKRHINBKFJI-UHFFFAOYSA-O
XLogP3.13
TPSA63.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]aniline
CID 18987570
disodium;2-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]benzene-1,4-disulfonate
CID 102503830
disodium;1-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonate
CID 102269569
4-[(2-methoxy-4-methylphenyl)diazenyl]-6-methylbenzene-1,3-diamine
CID 58654539
8-[(4-amino-2,5-dimethoxyphenyl)diazenyl]-5-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 137492596
4-chloro-2-methoxy-5-methylaniline;ethane
CID 143790774
(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 171057593
4-[(4-chlorophenyl)diazenyl]-5-ethyl-2-methoxyaniline
CID 23339963
4-(2-amino-4-methylphenoxy)butane-1-sulfonic acid;2-[[4-amino-2-methyl-5-(4-sulfobutoxy)phenyl]diazenyl]-5-methoxybenzenesulfonic acid
CID 158421445
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
4-[[4-[(4-methoxy-2-methylphenyl)diazenyl]-3-methylphenyl]diazenyl]-2,5-dimethylaniline
CID 148790382
3-[[4-[[4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
CID 163479138

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline?
The IUPAC name of 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline (CID 91014224) is 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline?
The canonical SMILES for 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline is COc1cc(/N=N/c2ccc(C)c[n+]2C)c(C)cc1N.
What is the InChIKey of 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline?
The InChIKey is AAMKKRHINBKFJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N4O/c1-10-5-6-15(19(3)9-10)18-17-13-8-14(20-4)12(16)7-11(13)2/h5-9,16H,1-4H3/p+1.
What are the key properties of 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline?
4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline has a molecular weight of 271.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyridin-1-ium-2-yl)diazenyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 91014224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).