N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C15H24F3NO — CID 62726388

IUPACN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C15H24F3NO/c16-15(17,18)10-20-6-5-14(9-19-13-3-4-13)8-11-1-2-12(14)7-11/h11-13,19H,1-10H2
InChIKeyPRHYMKCQINLGCW-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.51
Rot. Bonds7

About N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 62726388) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID62726388
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CC2CCC1C2
InChIInChI=1S/C15H24F3NO/c16-15(17,18)10-20-6-5-14(9-19-13-3-4-13)8-11-1-2-12(14)7-11/h11-13,19H,1-10H2
InChIKeyPRHYMKCQINLGCW-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 62723362
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62723555
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723557
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723559
N-methyl-1-[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62723956
2-methoxy-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62724161
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724570
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724767
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 62724968
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62725556
2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62725563
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 62725757

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 62726388) is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is FC(F)(F)COCCC1(CNC2CC2)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is PRHYMKCQINLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO/c16-15(17,18)10-20-6-5-14(9-19-13-3-4-13)8-11-1-2-12(14)7-11/h11-13,19H,1-10H2.
What are the key properties of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 291.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 62726388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).