3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide

C12H17FN2O2 — CID 94687738

IUPAC3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(F)cc1CN(C)C(=O)CCN
InChIInChI=1S/C12H17FN2O2/c1-15(12(16)5-6-14)8-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyIZWVYZMHBUOSKT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide

3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 94687738) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID94687738
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(F)cc1CN(C)C(=O)CCN
InChIInChI=1S/C12H17FN2O2/c1-15(12(16)5-6-14)8-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyIZWVYZMHBUOSKT-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-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

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide (CID 94687738) is 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(F)cc1CN(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is IZWVYZMHBUOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-15(12(16)5-6-14)8-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide?
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 240.28 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 3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 94687738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).