N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide

C12H18N2O2 — CID 43275430

IUPACN-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-3-16-9-12(15)14(2)11-6-4-10(8-13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyMBUOSVOKLZEZHJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide (PubChem CID 43275430) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
PubChem CID43275430
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-3-16-9-12(15)14(2)11-6-4-10(8-13)5-7-11/h4-7H,3,8-9,13H2,1-2H3
InChIKeyMBUOSVOKLZEZHJ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-ethoxyacetamide
CID 43276024
N-[4-(aminomethyl)phenyl]-N-methyl-2-phenylacetamide
CID 28755638
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
N-[4-(aminomethyl)phenyl]-3-methoxy-N,3-dimethylbutanamide
CID 103017349
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
2-[3-(aminomethyl)phenoxy]-N-methyl-N-phenylacetamide
CID 106485204
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide
CID 65125098

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide (CID 43275430) is N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide?
The InChIKey is MBUOSVOKLZEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-9-12(15)14(2)11-6-4-10(8-13)5-7-11/h4-7H,3,8-9,13H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide?
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.14, 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]-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 43275430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).