1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine

C18H18F3NO — CID 3036029

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine
SMILESCNC(Oc1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H18F3NO/c1-22-17(14-10-12-4-2-3-5-13(12)11-14)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3
InChIKeyTTZPGMVKNPCJMZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.04
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine

1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine (PubChem CID 3036029) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine
PubChem CID3036029
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine
SMILESCNC(Oc1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H18F3NO/c1-22-17(14-10-12-4-2-3-5-13(12)11-14)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3
InChIKeyTTZPGMVKNPCJMZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine (CID 3036029) is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine is CNC(Oc1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine?
The InChIKey is TTZPGMVKNPCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-22-17(14-10-12-4-2-3-5-13(12)11-14)23-16-8-6-15(7-9-16)18(19,20)21/h2-9,14,17,22H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine?
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine has a molecular weight of 321.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenoxy]methanamine is sourced from PubChem (CID 3036029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).