N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H22F3NO — CID 63683516

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CC2CCC1C2
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-5-1-4-17-8-12-7-10-2-3-11(12)6-10/h10-12,17H,1-9H2
InChIKeyXWWBZZLOJDFBSC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.98
Rot. Bonds7

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 63683516) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID63683516
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CC2CCC1C2
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-5-1-4-17-8-12-7-10-2-3-11(12)6-10/h10-12,17H,1-9H2
InChIKeyXWWBZZLOJDFBSC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 63683516) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is XWWBZZLOJDFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-18-5-1-4-17-8-12-7-10-2-3-11(12)6-10/h10-12,17H,1-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 63683516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).