3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide

C12H17FN2O2 — CID 106111202

IUPAC3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(12(16)11(7-14)17-2)8-9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3
InChIKeyIZMTVQYQBZOIKA-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide

3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide (PubChem CID 106111202) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
PubChem CID106111202
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(CN)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-15(12(16)11(7-14)17-2)8-9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3
InChIKeyIZMTVQYQBZOIKA-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide 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

3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
3-amino-2-methoxy-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 106111308
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide (CID 106111202) is 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide is COC(CN)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is IZMTVQYQBZOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(12(16)11(7-14)17-2)8-9-4-3-5-10(13)6-9/h3-6,11H,7-8,14H2,1-2H3.
What are the key properties of 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide?
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 106111202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).