N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine

C14H18F3NO — CID 61491226

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)COCCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-8-2-7-18-13-6-5-11-3-1-4-12(11)9-13/h5-6,9,18H,1-4,7-8,10H2
InChIKeyNAPPOHHYBNLLNB-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.56
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine

N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 61491226) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID61491226
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)COCCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-19-8-2-7-18-13-6-5-11-3-1-4-12(11)9-13/h5-6,9,18H,1-4,7-8,10H2
InChIKeyNAPPOHHYBNLLNB-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.56
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-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine (CID 61491226) is N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine is FC(F)(F)COCCCNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NAPPOHHYBNLLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)10-19-8-2-7-18-13-6-5-11-3-1-4-12(11)9-13/h5-6,9,18H,1-4,7-8,10H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 273.30 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 61491226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).