N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine

C13H21NO2 — CID 115258612

IUPACN-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
SMILESCOCNCc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-9-6-13(16-5)11(3)10(2)12(9)7-14-8-15-4/h6,14H,7-8H2,1-5H3
InChIKeyLABSYTBQFXCCOU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.31
Rot. Bonds5

About N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine

N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine (PubChem CID 115258612) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
PubChem CID115258612
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
SMILESCOCNCc1c(C)cc(OC)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-9-6-13(16-5)11(3)10(2)12(9)7-14-8-15-4/h6,14H,7-8H2,1-5H3
InChIKeyLABSYTBQFXCCOU-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-(2-chloroethyl)-2-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 115215127
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]azetidine-3-carboxamide
CID 115158909
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine?
The IUPAC name of N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine (CID 115258612) is N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine?
The canonical SMILES for N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine is COCNCc1c(C)cc(OC)c(C)c1C.
What is the InChIKey of N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine?
The InChIKey is LABSYTBQFXCCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(3)10(2)12(9)7-14-8-15-4/h6,14H,7-8H2,1-5H3.
What are the key properties of N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine?
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine is sourced from PubChem (CID 115258612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).