methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine

C11H17NO2 — CID 116947260

IUPACmethoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C)cc1C(N)OC
InChIInChI=1S/C11H17NO2/c1-7-5-9(11(12)14-4)10(13-3)6-8(7)2/h5-6,11H,12H2,1-4H3
InChIKeyGGLDETFROXTYHS-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds3

About methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine

methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine (PubChem CID 116947260) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Namemethoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
PubChem CID116947260
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C)cc1C(N)OC
InChIInChI=1S/C11H17NO2/c1-7-5-9(11(12)14-4)10(13-3)6-8(7)2/h5-6,11H,12H2,1-4H3
InChIKeyGGLDETFROXTYHS-UHFFFAOYSA-N
XLogP1.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine?
The IUPAC name of methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine (CID 116947260) is methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine?
The canonical SMILES for methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine is COc1cc(C)c(C)cc1C(N)OC.
What is the InChIKey of methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine?
The InChIKey is GGLDETFROXTYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-5-9(11(12)14-4)10(13-3)6-8(7)2/h5-6,11H,12H2,1-4H3.
What are the key properties of methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine?
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 116947260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).