1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide

C14H17F3N2O2 — CID 119811160

IUPAC1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-9-2-3-10(7-19-12(20)13(18)4-5-13)11(6-9)21-8-14(15,16)17/h2-3,6H,4-5,7-8,18H2,1H3,(H,19,20)
InChIKeyNZVDIRKPNRKMAU-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.04
Rot. Bonds5

About 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119811160) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID119811160
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-9-2-3-10(7-19-12(20)13(18)4-5-13)11(6-9)21-8-14(15,16)17/h2-3,6H,4-5,7-8,18H2,1H3,(H,19,20)
InChIKeyNZVDIRKPNRKMAU-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide (CID 119811160) is 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide is Cc1ccc(CNC(=O)C2(N)CC2)c(OCC(F)(F)F)c1.
What is the InChIKey of 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is NZVDIRKPNRKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-2-3-10(7-19-12(20)13(18)4-5-13)11(6-9)21-8-14(15,16)17/h2-3,6H,4-5,7-8,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).