3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

C11H15FN2O — CID 39242618

IUPAC3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCN
InChIInChI=1S/C11H15FN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3
InChIKeyGJUWKJMNKUSFRM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 39242618) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID39242618
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCN
InChIInChI=1S/C11H15FN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3
InChIKeyGJUWKJMNKUSFRM-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78771203
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
3-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911834
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270375

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (CID 39242618) is 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)cc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is GJUWKJMNKUSFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-14(11(15)6-7-13)8-9-2-4-10(12)5-3-9/h2-5H,6-8,13H2,1H3.
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 210.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 39242618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).