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

C14H24F3NO — CID 61491265

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C14H24F3NO/c1-10(13-8-11-3-4-12(13)7-11)18-5-2-6-19-9-14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyAHLZAIAANQPXDO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.37
Rot. Bonds7

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61491265) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61491265
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C14H24F3NO/c1-10(13-8-11-3-4-12(13)7-11)18-5-2-6-19-9-14(15,16)17/h10-13,18H,2-9H2,1H3
InChIKeyAHLZAIAANQPXDO-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.37
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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61491265) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(NCCCOCC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is AHLZAIAANQPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10(13-8-11-3-4-12(13)7-11)18-5-2-6-19-9-14(15,16)17/h10-13,18H,2-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).