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

C13H21NO — CID 115258971

IUPAC2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-11-5-6-12(2)13(9-11)7-8-14(3)10-15-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYNRJNCVYCCOIBQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.38
Rot. Bonds5

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

2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine (PubChem CID 115258971) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
PubChem CID115258971
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
SMILESCOCN(C)CCc1cc(C)ccc1C
InChIInChI=1S/C13H21NO/c1-11-5-6-12(2)13(9-11)7-8-14(3)10-15-4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyYNRJNCVYCCOIBQ-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dimethylphenyl)ethyl-methylamino]methanethiol
CID 115228360
N-(bromomethyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 115262334
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034
N'-[2-(2,5-dimethylphenyl)ethyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202182
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132235
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
4-[2-(2,5-dimethylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220114
1-[[2-(2,5-dimethylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243120
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
2-(5-fluoro-2-methoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258985
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
CID 117040756

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine (CID 115258971) is 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine is COCN(C)CCc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
The InChIKey is YNRJNCVYCCOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-6-12(2)13(9-11)7-8-14(3)10-15-4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine?
2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine is sourced from PubChem (CID 115258971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).