N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide

C14H17F3N2O2 — CID 103205396

IUPACN-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCc1ccc(N(C(=O)COCC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-13(20)19(12-5-6-12)11-3-1-10(7-18)2-4-11/h1-4,12H,5-9,18H2
InChIKeyCNKKRFTVDZYZAJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.22
Rot. Bonds6

About N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103205396) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103205396
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCc1ccc(N(C(=O)COCC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-13(20)19(12-5-6-12)11-3-1-10(7-18)2-4-11/h1-4,12H,5-9,18H2
InChIKeyCNKKRFTVDZYZAJ-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103205396) is N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide is NCc1ccc(N(C(=O)COCC(F)(F)F)C2CC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CNKKRFTVDZYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)9-21-8-13(20)19(12-5-6-12)11-3-1-10(7-18)2-4-11/h1-4,12H,5-9,18H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103205396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).