2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine

C12H19NO2 — CID 84780792

IUPAC2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C(OC)OC)cc1
InChIInChI=1S/C12H19NO2/c1-13-9-8-10-4-6-11(7-5-10)12(14-2)15-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyCQQWVFQPCWFJIA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine

2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine (PubChem CID 84780792) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
PubChem CID84780792
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C(OC)OC)cc1
InChIInChI=1S/C12H19NO2/c1-13-9-8-10-4-6-11(7-5-10)12(14-2)15-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyCQQWVFQPCWFJIA-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
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-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
N-(2-methoxyethyl)-N-methyl-4-[2-(methylamino)ethyl]aniline
CID 148951067
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
N-methyl-2-[4-(3-methylbutan-2-yloxymethyl)phenyl]ethanamine
CID 105351152
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-[[4-(dimethoxymethyl)phenyl]methyl]prop-2-yn-1-amine
CID 118266829
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine (CID 84780792) is 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine is CNCCc1ccc(C(OC)OC)cc1.
What is the InChIKey of 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is CQQWVFQPCWFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-9-8-10-4-6-11(7-5-10)12(14-2)15-3/h4-7,12-13H,8-9H2,1-3H3.
What are the key properties of 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine?
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 84780792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).