methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine

C12H19NO2 — CID 116947288

IUPACmethoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-7-6-10(12(13)15-5)8(2)9(3)11(7)14-4/h6,12H,13H2,1-5H3
InChIKeyVGQHVXHGTQWRDD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds3

About methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine

methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine (PubChem CID 116947288) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Namemethoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
PubChem CID116947288
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)OC)c(C)c1C
InChIInChI=1S/C12H19NO2/c1-7-6-10(12(13)15-5)8(2)9(3)11(7)14-4/h6,12H,13H2,1-5H3
InChIKeyVGQHVXHGTQWRDD-UHFFFAOYSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
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

bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 82297222
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
1-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutane-1,4-diamine
CID 116934191
1-(4-methoxy-2,3,5-trimethylphenyl)-3,3-dimethylbutane-1,4-diamine
CID 116934631
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116947261
[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
CID 87085516
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672

Frequently Asked Questions

What is the IUPAC name of methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine?
The IUPAC name of methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine (CID 116947288) is methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine.
What is the SMILES notation for methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine?
The canonical SMILES for methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine is COc1c(C)cc(C(N)OC)c(C)c1C.
What is the InChIKey of methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine?
The InChIKey is VGQHVXHGTQWRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-6-10(12(13)15-5)8(2)9(3)11(7)14-4/h6,12H,13H2,1-5H3.
What are the key properties of methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine?
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine is sourced from PubChem (CID 116947288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).