1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine

C13H21NO2 — CID 116961496

IUPAC1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
SMILESCNC(OC)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-7-11(13(14-4)16-6)9(2)10(3)12(8)15-5/h7,13-14H,1-6H3
InChIKeyHDSVIFQTLDGOJG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.48
Rot. Bonds4

About 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine

1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine (PubChem CID 116961496) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
PubChem CID116961496
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
SMILESCNC(OC)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-8-7-11(13(14-4)16-6)9(2)10(3)12(8)15-5/h7,13-14H,1-6H3
InChIKeyHDSVIFQTLDGOJG-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.48
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

(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
methoxy-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947288
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
(E)-4-(4-methoxy-2,3,5-trimethylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956328
[(4-methoxy-2,3,5-trimethylphenyl)-phenylmethyl]phosphane
CID 87085516
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
1-(4-methoxy-2,3,5-trimethylphenyl)propane-1,3-diamine
CID 116932790
1-(5-chloro-2-methoxy-4-methylphenyl)-1-methoxy-N-methylmethanamine
CID 116961483
1-(4-methoxy-2,3,5-trimethylphenyl)-2-methylsulfanylethanol
CID 116830198
1-(4-methoxy-2,3,5-trimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904827

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine (CID 116961496) is 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine is CNC(OC)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine?
The InChIKey is HDSVIFQTLDGOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-7-11(13(14-4)16-6)9(2)10(3)12(8)15-5/h7,13-14H,1-6H3.
What are the key properties of 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine?
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116961496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).