2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide

C12H18N2O2 — CID 175318463

IUPAC2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide
SMILESCOC(C)c1ccc(CN)cc1CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-8(16-2)11-4-3-9(7-13)5-10(11)6-12(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyOXZVUYUCRAFVGY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.88
Rot. Bonds5

About 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide

2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide (PubChem CID 175318463) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide
PubChem CID175318463
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide
SMILESCOC(C)c1ccc(CN)cc1CC(N)=O
InChIInChI=1S/C12H18N2O2/c1-8(16-2)11-4-3-9(7-13)5-10(11)6-12(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyOXZVUYUCRAFVGY-UHFFFAOYSA-N
XLogP0.88
TPSA78.34 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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(aminomethyl)phenyl]methyl 2-methylpropanoate;propanamide
CID 176717453
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
[4-(aminomethyl)-2-methoxyphenyl] (2S)-2-aminopropanoate
CID 67140266
diethyl 2-[4-(aminomethyl)-2-fluorophenyl]propanedioate
CID 174468628
[5-methoxy-2-(1-methoxyethyl)phenyl] carbamate
CID 175203239
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
5-(aminomethyl)-2-(difluoromethyl)benzoic acid
CID 123850880
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide (CID 175318463) is 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide is COC(C)c1ccc(CN)cc1CC(N)=O.
What is the InChIKey of 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide?
The InChIKey is OXZVUYUCRAFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(16-2)11-4-3-9(7-13)5-10(11)6-12(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide?
2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-(1-methoxyethyl)phenyl]acetamide is sourced from PubChem (CID 175318463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).