2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide

C13H18F2N2O — CID 113328883

IUPAC2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(CN)Cc1cccc(C(F)F)c1
InChIInChI=1S/C13H18F2N2O/c1-2-17-13(18)11(8-16)7-9-4-3-5-10(6-9)12(14)15/h3-6,11-12H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyYGLXSQNCAIKFFH-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.88
Rot. Bonds6

About 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide

2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide (PubChem CID 113328883) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
PubChem CID113328883
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(CN)Cc1cccc(C(F)F)c1
InChIInChI=1S/C13H18F2N2O/c1-2-17-13(18)11(8-16)7-9-4-3-5-10(6-9)12(14)15/h3-6,11-12H,2,7-8,16H2,1H3,(H,17,18)
InChIKeyYGLXSQNCAIKFFH-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 62095432
ethyl 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]propanoate
CID 113328882
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
CID 113328886
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
2-(aminomethyl)-N-ethyl-3-naphthalen-1-ylpropanamide
CID 62097513
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
CID 175634041
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 106335596
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide (CID 113328883) is 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide is CCNC(=O)C(CN)Cc1cccc(C(F)F)c1.
What is the InChIKey of 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide?
The InChIKey is YGLXSQNCAIKFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-17-13(18)11(8-16)7-9-4-3-5-10(6-9)12(14)15/h3-6,11-12H,2,7-8,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide?
2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide has a molecular weight of 256.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide is sourced from PubChem (CID 113328883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).