1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine

C18H23NO2 — CID 106680529

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
SMILESCNC(COc1ccccc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13-10-14(2)18(17(11-13)20-4)16(19-3)12-21-15-8-6-5-7-9-15/h5-11,16,19H,12H2,1-4H3
InChIKeyNCGFUDXNQZRJEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine (PubChem CID 106680529) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
PubChem CID106680529
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
SMILESCNC(COc1ccccc1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H23NO2/c1-13-10-14(2)18(17(11-13)20-4)16(19-3)12-21-15-8-6-5-7-9-15/h5-11,16,19H,12H2,1-4H3
InChIKeyNCGFUDXNQZRJEN-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 106680429
2-(2-chlorophenoxy)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63499644
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
1-(2-methoxy-5-methylphenyl)-N-methyl-3-phenoxypropan-2-amine
CID 62715506
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine (CID 106680529) is 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine is CNC(COc1ccccc1)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine?
The InChIKey is NCGFUDXNQZRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-10-14(2)18(17(11-13)20-4)16(19-3)12-21-15-8-6-5-7-9-15/h5-11,16,19H,12H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine?
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine is sourced from PubChem (CID 106680529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).