N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide

C12H18N2O2 — CID 61278778

IUPACN-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-14(12(15)9-16-2)8-11-5-3-10(7-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyIHUYDAGROIHDLI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.75
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide

N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide (PubChem CID 61278778) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
PubChem CID61278778
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-14(12(15)9-16-2)8-11-5-3-10(7-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyIHUYDAGROIHDLI-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
CID 60656747
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61422064
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
2-(2-aminoethoxy)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 79463095
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205414
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205359
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide (CID 61278778) is N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide?
The InChIKey is IHUYDAGROIHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(12(15)9-16-2)8-11-5-3-10(7-13)4-6-11/h3-6H,7-9,13H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide?
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 61278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).