2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine

C12H19NO — CID 115258819

IUPAC2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
SMILESCOCNCCc1ccc(C)cc1C
InChIInChI=1S/C12H19NO/c1-10-4-5-12(11(2)8-10)6-7-13-9-14-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyGQHQFUXBMRLWLC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine

2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine (PubChem CID 115258819) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
PubChem CID115258819
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine
SMILESCOCNCCc1ccc(C)cc1C
InChIInChI=1S/C12H19NO/c1-10-4-5-12(11(2)8-10)6-7-13-9-14-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyGQHQFUXBMRLWLC-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(2,4-dimethylphenyl)-N-ethylethanamine
CID 62801673
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-N-[2-(2,4-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222418
[1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243633
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
CID 82109034
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
1-[[2-(2,4-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243065
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426788
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
2-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132904

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine (CID 115258819) is 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine is COCNCCc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine?
The InChIKey is GQHQFUXBMRLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-5-12(11(2)8-10)6-7-13-9-14-3/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine?
2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(methoxymethyl)ethanamine is sourced from PubChem (CID 115258819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).