2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide

C14H18F2N2O — CID 113328886

IUPAC2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
SMILESNCC(Cc1cccc(C(F)F)c1)C(=O)NC1CC1
InChIInChI=1S/C14H18F2N2O/c15-13(16)10-3-1-2-9(6-10)7-11(8-17)14(19)18-12-4-5-12/h1-3,6,11-13H,4-5,7-8,17H2,(H,18,19)
InChIKeyWUYOFTIMLRXYRT-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.02
Rot. Bonds6

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

2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide (PubChem CID 113328886) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
PubChem CID113328886
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
SMILESNCC(Cc1cccc(C(F)F)c1)C(=O)NC1CC1
InChIInChI=1S/C14H18F2N2O/c15-13(16)10-3-1-2-9(6-10)7-11(8-17)14(19)18-12-4-5-12/h1-3,6,11-13H,4-5,7-8,17H2,(H,18,19)
InChIKeyWUYOFTIMLRXYRT-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]-N-ethylpropanamide
CID 113328883
ethyl 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]propanoate
CID 113328882
2-(aminomethyl)-N-cyclopropyl-3-(2,3-difluorophenyl)propanamide
CID 63667369
2-(aminomethyl)-N-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 55039758
2-(aminomethyl)-N-cyclopropyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanamide
CID 62081534
2-amino-N-[[3-(difluoromethyl)phenyl]methyl]acetamide
CID 175634041
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
CID 115055777
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
2-(aminomethyl)-N-ethyl-3-(3-fluorophenyl)propanamide
CID 62095432
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide (CID 113328886) is 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide is NCC(Cc1cccc(C(F)F)c1)C(=O)NC1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide?
The InChIKey is WUYOFTIMLRXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-13(16)10-3-1-2-9(6-10)7-11(8-17)14(19)18-12-4-5-12/h1-3,6,11-13H,4-5,7-8,17H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide?
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide has a molecular weight of 268.31 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113328886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).