3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide

C13H16F2N2O2 — CID 79886312

IUPAC3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
SMILESNCc1cc(F)c(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c14-10-5-8(7-16)6-11(15)13(10)19-4-3-12(18)17-9-1-2-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyBSXXRJHQQRXSRB-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.47
Rot. Bonds6

About 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide

3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide (PubChem CID 79886312) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
PubChem CID79886312
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
SMILESNCc1cc(F)c(OCCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c14-10-5-8(7-16)6-11(15)13(10)19-4-3-12(18)17-9-1-2-9/h5-6,9H,1-4,7,16H2,(H,17,18)
InChIKeyBSXXRJHQQRXSRB-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
CID 62627959
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
4-[3-(cyclopropylamino)-3-oxopropoxy]-3-fluorobenzoic acid
CID 107690083
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide (CID 79886312) is 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide is NCc1cc(F)c(OCCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide?
The InChIKey is BSXXRJHQQRXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-5-8(7-16)6-11(15)13(10)19-4-3-12(18)17-9-1-2-9/h5-6,9H,1-4,7,16H2,(H,17,18).
What are the key properties of 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide?
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide has a molecular weight of 270.28 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 79886312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).