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

C19H20F3N — CID 58173143

IUPACN,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C(F)(F)F)c1-c1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C19H20F3N/c1-12-5-4-6-16(19(20,21)22)18(12)14-8-7-13-9-10-17(23(2)3)15(13)11-14/h4-8,11,17H,9-10H2,1-3H3
InChIKeyYWYRHKUZPFDBIX-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.23
Rot. Bonds2

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

N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 58173143) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID58173143
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C(F)(F)F)c1-c1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C19H20F3N/c1-12-5-4-6-16(19(20,21)22)18(12)14-8-7-13-9-10-17(23(2)3)15(13)11-14/h4-8,11,17H,9-10H2,1-3H3
InChIKeyYWYRHKUZPFDBIX-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 58173143) is N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is Cc1cccc(C(F)(F)F)c1-c1ccc2c(c1)C(N(C)C)CC2.
What is the InChIKey of N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YWYRHKUZPFDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c1-12-5-4-6-16(19(20,21)22)18(12)14-8-7-13-9-10-17(23(2)3)15(13)11-14/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 319.37 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[2-methyl-6-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 58173143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).