N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine

C15H20F3NO2 — CID 106704665

IUPACN-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OCOCC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-13-7-6-12-11(13)4-3-5-14(12)21-10-20-9-15(16,17)18/h3-5,13,19H,2,6-10H2,1H3
InChIKeyOEGIELBZWBZWDC-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.59
Rot. Bonds7

About N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine

N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106704665) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID106704665
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OCOCC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-13-7-6-12-11(13)4-3-5-14(12)21-10-20-9-15(16,17)18/h3-5,13,19H,2,6-10H2,1H3
InChIKeyOEGIELBZWBZWDC-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106929342
4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79484089
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 114619832
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
CID 83035099
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453675
5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437032

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine (CID 106704665) is N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c(OCOCC(F)(F)F)cccc21.
What is the InChIKey of N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OEGIELBZWBZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-8-19-13-7-6-12-11(13)4-3-5-14(12)21-10-20-9-15(16,17)18/h3-5,13,19H,2,6-10H2,1H3.
What are the key properties of N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine?
N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106704665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).