N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine

C13H21NO2 — CID 115258978

IUPACN-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCOCN(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO2/c1-11-9-12(5-6-13(11)16-4)7-8-14(2)10-15-3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyNJWVDIRVUAZWBD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.08
Rot. Bonds6

About N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine

N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine (PubChem CID 115258978) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
PubChem CID115258978
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
SMILESCOCN(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO2/c1-11-9-12(5-6-13(11)16-4)7-8-14(2)10-15-3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyNJWVDIRVUAZWBD-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
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

2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258985
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042778
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The IUPAC name of N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine (CID 115258978) is N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine is COCN(C)CCc1ccc(OC)c(C)c1.
What is the InChIKey of N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine?
The InChIKey is NJWVDIRVUAZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-9-12(5-6-13(11)16-4)7-8-14(2)10-15-3/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine?
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115258978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).