2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide

C16H19N3O2 — CID 43523594

IUPAC2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccccc1CN)c1cccnc1
InChIInChI=1S/C16H19N3O2/c1-12(14-6-4-8-18-10-14)19-16(20)11-21-15-7-3-2-5-13(15)9-17/h2-8,10,12H,9,11,17H2,1H3,(H,19,20)
InChIKeyUOUHJXUFMJMBFC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide

2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 43523594) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID43523594
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)COc1ccccc1CN)c1cccnc1
InChIInChI=1S/C16H19N3O2/c1-12(14-6-4-8-18-10-14)19-16(20)11-21-15-7-3-2-5-13(15)9-17/h2-8,10,12H,9,11,17H2,1H3,(H,19,20)
InChIKeyUOUHJXUFMJMBFC-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)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

2-(4-chloronaphthalen-1-yl)oxy-N-(1-pyridin-3-ylethyl)acetamide
CID 17404543
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-[2-oxo-2-(1-pyridin-3-ylethylamino)ethoxy]acetic acid
CID 61328794
2-(2-benzylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 40585349
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 94359742
4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide (CID 43523594) is 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)COc1ccccc1CN)c1cccnc1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is UOUHJXUFMJMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(14-6-4-8-18-10-14)19-16(20)11-21-15-7-3-2-5-13(15)9-17/h2-8,10,12H,9,11,17H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide?
2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 43523594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).