N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide

C12H18N2O2 — CID 61278568

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(14-12(15)8-16-2)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQXQLAKJGUIIBHU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds5

About N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide

N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide (PubChem CID 61278568) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
PubChem CID61278568
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(14-12(15)8-16-2)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQXQLAKJGUIIBHU-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60638432
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-methoxy-3-methylbutanamide
CID 103017375
sodium;2-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide;(1R)-1-(4-methylphenyl)ethanamine;hydroxide
CID 157239049
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
N-[1-[4-(aminomethyl)phenyl]ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205402
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide (CID 61278568) is N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide is COCC(=O)NC(C)c1ccc(CN)cc1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide?
The InChIKey is QXQLAKJGUIIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14-12(15)8-16-2)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide?
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 61278568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).