1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide

C13H15F3N2O2 — CID 115452417

IUPAC1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-10-4-2-1-3-9(10)18-11(19)12(7-17)5-6-12/h1-4H,5-8,17H2,(H,18,19)
InChIKeyDKNRRVTUYHAFQZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.31
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452417) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID115452417
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2OCC(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-10-4-2-1-3-9(10)18-11(19)12(7-17)5-6-12/h1-4H,5-8,17H2,(H,18,19)
InChIKeyDKNRRVTUYHAFQZ-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
CID 115452598
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]oxolane-2-carboxamide
CID 120785310
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
4-(aminomethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]oxane-4-carboxamide;hydrochloride
CID 120934021
N-[1-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119565633
2-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 60848771
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide (CID 115452417) is 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccccc2OCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DKNRRVTUYHAFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)8-20-10-4-2-1-3-9(10)18-11(19)12(7-17)5-6-12/h1-4H,5-8,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).