[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine

C15H20F3NO — CID 65406548

IUPAC[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)11-20-7-3-6-14(10-19)8-12-4-1-2-5-13(12)9-14/h1-2,4-5H,3,6-11,19H2
InChIKeyQVZOBSYWOZAOBF-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.09
Rot. Bonds6

About [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine

[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine (PubChem CID 65406548) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine
PubChem CID65406548
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)11-20-7-3-6-14(10-19)8-12-4-1-2-5-13(12)9-14/h1-2,4-5H,3,6-11,19H2
InChIKeyQVZOBSYWOZAOBF-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.09
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

2-[4-(4-Fluorophenyl)oxan-4-yl]ethan-1-amine
CID 68314438
2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 140624930
2-[(9R)-9-[4-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 140624931
[3-[(2,3-Difluorophenyl)methyl]oxan-3-yl]methanamine
CID 55150685
2-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61750797
2-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 61750798
2-Benzyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505164
2-[(2-Methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529997
2-[(2-Methylphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62530389
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-dihydroinden-2-amine
CID 62622356
2-[3-(2,2,2-Trifluoroethoxy)propyl]-1,3-dihydroinden-2-amine
CID 62622718
2-Ethyl-2-phenyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723903

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine (CID 65406548) is [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine is NCC1(CCCOCC(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is QVZOBSYWOZAOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)11-20-7-3-6-14(10-19)8-12-4-1-2-5-13(12)9-14/h1-2,4-5H,3,6-11,19H2.
What are the key properties of [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine?
[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 65406548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).