2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide

C17H19FN2O — CID 81312468

IUPAC2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccccc1CN)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-20(16-10-6-5-9-15(16)18)17(21)11-13-7-3-4-8-14(13)12-19/h3-10H,2,11-12,19H2,1H3
InChIKeyQLPWQXXUGAQKII-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide (PubChem CID 81312468) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
PubChem CID81312468
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
SMILESCCN(C(=O)Cc1ccccc1CN)c1ccccc1F
InChIInChI=1S/C17H19FN2O/c1-2-20(16-10-6-5-9-15(16)18)17(21)11-13-7-3-4-8-14(13)12-19/h3-10H,2,11-12,19H2,1H3
InChIKeyQLPWQXXUGAQKII-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 81312467
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
N-ethyl-N-(2-fluorophenyl)-4-hydroxypentanamide
CID 79192047
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
CID 112727460
5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934429
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
N-(2-aminophenyl)-N-ethyl-2-(2-methylphenyl)acetamide
CID 62100818
3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
CID 79810988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide (CID 81312468) is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide is CCN(C(=O)Cc1ccccc1CN)c1ccccc1F.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide?
The InChIKey is QLPWQXXUGAQKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-20(16-10-6-5-9-15(16)18)17(21)11-13-7-3-4-8-14(13)12-19/h3-10H,2,11-12,19H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 81312468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).