[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium

C10H15N2O+ — CID 6347166

IUPAC[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium
SMILESCOc1cc(C)c(C(N)=[NH2+])cc1C
InChIInChI=1S/C10H14N2O/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5H,1-3H3,(H3,11,12)/p+1
InChIKeyCJLSQVSUUPRYBE-UHFFFAOYSA-O
MW179.24 g/mol
LogP-0.22
Rot. Bonds2

About [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium

[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium (PubChem CID 6347166) has the molecular formula C10H15N2O+ and a molecular weight of 179.24 g/mol. Its IUPAC name is [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium
PubChem CID6347166
Molecular FormulaC10H15N2O+
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium
SMILESCOc1cc(C)c(C(N)=[NH2+])cc1C
InChIInChI=1S/C10H14N2O/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5H,1-3H3,(H3,11,12)/p+1
InChIKeyCJLSQVSUUPRYBE-UHFFFAOYSA-O
XLogP-0.22
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
CID 6347155
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2,5-dimethoxy-4-methylbenzamide
CID 82491295
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
5-chloro-4-methoxy-2-methylbenzenecarbothioamide
CID 82492980
4-methoxy-2,5-dimethylbenzoyl cyanide
CID 116918954
methyl 2-(4-methoxy-2,5-dimethylphenyl)prop-2-enoate
CID 116843208
1-(4-methoxy-2,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129213
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
3-amino-1-(4-methoxy-2,5-dimethylphenyl)-5,5-dimethylhexan-1-one
CID 116614674
2,2,3,3,3-pentafluoro-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 114038350

Frequently Asked Questions

What is the IUPAC name of [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium?
The IUPAC name of [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium (CID 6347166) is [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium.
What is the SMILES notation for [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium?
The canonical SMILES for [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium is COc1cc(C)c(C(N)=[NH2+])cc1C.
What is the InChIKey of [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium?
The InChIKey is CJLSQVSUUPRYBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2O/c1-6-5-9(13-3)7(2)4-8(6)10(11)12/h4-5H,1-3H3,(H3,11,12)/p+1.
What are the key properties of [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium?
[amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium has a molecular weight of 179.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-methoxy-2,5-dimethylphenyl)methylidene]azanium is sourced from PubChem (CID 6347166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).