3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

C12H18ClFN2O — CID 119297962

IUPAC3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCN(CCc1ccc(F)cc1)C(=O)CCN.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-8-14)9-7-10-2-4-11(13)5-3-10;/h2-5H,6-9,14H2,1H3;1H
InChIKeyKLQVTSXCBHQFQJ-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.60
Rot. Bonds5

About 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (PubChem CID 119297962) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
PubChem CID119297962
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCN(CCc1ccc(F)cc1)C(=O)CCN.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-8-14)9-7-10-2-4-11(13)5-3-10;/h2-5H,6-9,14H2,1H3;1H
InChIKeyKLQVTSXCBHQFQJ-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride 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-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
2-amino-N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589650
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (CID 119297962) is 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is CN(CCc1ccc(F)cc1)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is KLQVTSXCBHQFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-8-14)9-7-10-2-4-11(13)5-3-10;/h2-5H,6-9,14H2,1H3;1H.
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119297962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).