N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide

C12H16F2N2O2 — CID 82003922

IUPACN-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H16F2N2O2/c1-8(18-7-11(13)14)12(17)16-10-4-2-9(6-15)3-5-10/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)
InChIKeyWIJQYXNVSCLZHT-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.75
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide

N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide (PubChem CID 82003922) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
PubChem CID82003922
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
SMILESCC(OCC(F)F)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C12H16F2N2O2/c1-8(18-7-11(13)14)12(17)16-10-4-2-9(6-15)3-5-10/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)
InChIKeyWIJQYXNVSCLZHT-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-[4-(aminomethyl)phenyl]-2-(4-methylpentan-2-yloxy)propanamide
CID 60725469
N-[4-(aminomethyl)phenyl]-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103487081
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide
CID 82005916
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
ethyl 2-[[4-(aminomethyl)phenyl]carbamoyl]-4-methylpentanoate;hydrochloride
CID 174057394
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
N-(4-amino-2,6-dichlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82004014
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide (CID 82003922) is N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide is CC(OCC(F)F)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
The InChIKey is WIJQYXNVSCLZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8(18-7-11(13)14)12(17)16-10-4-2-9(6-15)3-5-10/h2-5,8,11H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide?
N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide has a molecular weight of 258.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82003922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).