N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C18H19F2N — CID 78956223

IUPACN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1c(F)cccc1F)CC2
InChIInChI=1S/C18H19F2N/c1-11-6-7-13-8-9-17(14(13)10-11)21-12(2)18-15(19)4-3-5-16(18)20/h3-7,10,12,17,21H,8-9H2,1-2H3
InChIKeyJYGAOODDGUTTBJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.61
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 78956223) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID78956223
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NC(C)c1c(F)cccc1F)CC2
InChIInChI=1S/C18H19F2N/c1-11-6-7-13-8-9-17(14(13)10-11)21-12(2)18-15(19)4-3-5-16(18)20/h3-7,10,12,17,21H,8-9H2,1-2H3
InChIKeyJYGAOODDGUTTBJ-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 78956223) is N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NC(C)c1c(F)cccc1F)CC2.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JYGAOODDGUTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-11-6-7-13-8-9-17(14(13)10-11)21-12(2)18-15(19)4-3-5-16(18)20/h3-7,10,12,17,21H,8-9H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78956223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).