N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C14H17F3N2O — CID 107493531

IUPACN-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-19(9-8-18)12(20)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,18H2
InChIKeyMXZAQEKDQFUJBI-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.07
Rot. Bonds5

About N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 107493531) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID107493531
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESNCCN(CC(F)(F)F)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-19(9-8-18)12(20)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,18H2
InChIKeyMXZAQEKDQFUJBI-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107483376
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-(2-aminoethyl)-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493544
N-(2-aminoethyl)-2-methyl-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 107493677
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113469199
5,5,5-trifluoro-1-(1-phenylcyclopropyl)pentan-1-one
CID 113326829
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 119653882
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 107493531) is N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is NCCN(CC(F)(F)F)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is MXZAQEKDQFUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-19(9-8-18)12(20)13(6-7-13)11-4-2-1-3-5-11/h1-5H,6-10,18H2.
What are the key properties of N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107493531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).