6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

C18H15F6N — CID 25154451

IUPAC6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc21
InChIInChI=1S/C18H15F6N/c1-25-15-8-7-10-5-6-11(9-12(10)15)16-13(17(19,20)21)3-2-4-14(16)18(22,23)24/h2-6,9,15,25H,7-8H2,1H3
InChIKeyMWGWXWCRBQXUJS-UHFFFAOYSA-N
MW359.31 g/mol
LogP5.60
Rot. Bonds2

About 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 25154451) has the molecular formula C18H15F6N and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID25154451
Molecular FormulaC18H15F6N
Molecular Weight359.31 g/mol
Exact Mass359.11
IUPAC Name6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc21
InChIInChI=1S/C18H15F6N/c1-25-15-8-7-10-5-6-11(9-12(10)15)16-13(17(19,20)21)3-2-4-14(16)18(22,23)24/h2-6,9,15,25H,7-8H2,1H3
InChIKeyMWGWXWCRBQXUJS-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 58173143
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154366
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine
CID 174610419
3-[8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoic acid
CID 82540277
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
N-methyl-5-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105453322
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
CID 3058652
N,N-dimethyl-3-(methylamino)-2,3-dihydro-1H-indene-5-carboxamide
CID 59505376
6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 90851114

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 25154451) is 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2ccc(-c3c(C(F)(F)F)cccc3C(F)(F)F)cc21.
What is the InChIKey of 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MWGWXWCRBQXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6N/c1-25-15-8-7-10-5-6-11(9-12(10)15)16-13(17(19,20)21)3-2-4-14(16)18(22,23)24/h2-6,9,15,25H,7-8H2,1H3.
What are the key properties of 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 359.31 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25154451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).