3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide

C17H19FN2O — CID 61413671

IUPAC3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-20(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(19)11-13/h2-8,11H,9-10,12,19H2,1H3
InChIKeyRKQDYQMWBJHZGP-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.00
Rot. Bonds5

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

3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 61413671) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID61413671
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccccc1F)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-20(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(19)11-13/h2-8,11H,9-10,12,19H2,1H3
InChIKeyRKQDYQMWBJHZGP-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
(2-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80700899
3-(3-bromo-4-methoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 55574705
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-phenylpropanoate
CID 55397534
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
2-(3-aminophenyl)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 62498032
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide (CID 61413671) is 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccccc1F)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is RKQDYQMWBJHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(12-14-6-2-3-8-16(14)18)17(21)10-9-13-5-4-7-15(19)11-13/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 61413671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).