2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine

C14H23NO2 — CID 115259034

IUPAC2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO2/c1-11-8-12(2)14(17-5)13(9-11)6-7-15(3)10-16-4/h8-9H,6-7,10H2,1-5H3
InChIKeyJMHZTJWQCCUUAM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine

2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115259034) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115259034
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO2/c1-11-8-12(2)14(17-5)13(9-11)6-7-15(3)10-16-4/h8-9H,6-7,10H2,1-5H3
InChIKeyJMHZTJWQCCUUAM-UHFFFAOYSA-N
XLogP2.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.39
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

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl-methylamino]propan-2-one
CID 115235166
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258971
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
1-but-3-ynyl-2-methoxy-3,5-dimethylbenzene
CID 83941962
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115259034) is 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine is COCN(C)CCc1cc(C)cc(C)c1OC.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is JMHZTJWQCCUUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-8-12(2)14(17-5)13(9-11)6-7-15(3)10-16-4/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115259034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).