N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

C13H17F3N2O2 — CID 66277586

IUPACN-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCC(OCCC(=O)Nc1ccc(CN)cc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(13(14,15)16)20-7-6-12(19)18-11-4-2-10(8-17)3-5-11/h2-5,9H,6-8,17H2,1H3,(H,18,19)
InChIKeyXUSASUSZSNESKB-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.44
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (PubChem CID 66277586) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
PubChem CID66277586
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCC(OCCC(=O)Nc1ccc(CN)cc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(13(14,15)16)20-7-6-12(19)18-11-4-2-10(8-17)3-5-11/h2-5,9H,6-8,17H2,1H3,(H,18,19)
InChIKeyXUSASUSZSNESKB-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(4-cyanophenyl)-4-(1,1,1-trifluoropropan-2-yloxy)butanamide
CID 66275671
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224
N-[4-(aminomethyl)phenyl]-3-(2-cyclobutylethoxy)propanamide
CID 106200311
N-[4-(aminomethyl)phenyl]-3-tert-butylsulfinylpropanamide
CID 81329230
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (CID 66277586) is N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is CC(OCCC(=O)Nc1ccc(CN)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The InChIKey is XUSASUSZSNESKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(13(14,15)16)20-7-6-12(19)18-11-4-2-10(8-17)3-5-11/h2-5,9H,6-8,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.44, 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]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is sourced from PubChem (CID 66277586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).