2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine

C13H22N2O — CID 62448597

IUPAC2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1ccc(CN(C)CCOC)cc1
InChIInChI=1S/C13H22N2O/c1-14-10-12-4-6-13(7-5-12)11-15(2)8-9-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyPIWZWKSYSQSOIE-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.48
Rot. Bonds7

About 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine

2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 62448597) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID62448597
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCNCc1ccc(CN(C)CCOC)cc1
InChIInChI=1S/C13H22N2O/c1-14-10-12-4-6-13(7-5-12)11-15(2)8-9-16-3/h4-7,14H,8-11H2,1-3H3
InChIKeyPIWZWKSYSQSOIE-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4348
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
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(Benzylamino)acetaldehyde diethyl acetal
CID 521961
N-Benzyl-N-methylethanolamine
CID 66876
10-Benzyl-1,4,7-trioxa-10-azacyclododecane
CID 766194
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
Benzyl(2-methoxyethyl)amine
CID 2396989
3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
2-(Benzylamino)propan-1-ol
CID 138873
4-Benzylmorpholine
CID 249546

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine (CID 62448597) is 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine is CNCc1ccc(CN(C)CCOC)cc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is PIWZWKSYSQSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-10-12-4-6-13(7-5-12)11-15(2)8-9-16-3/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine has a molecular weight of 222.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62448597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).