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

C17H17F2N — CID 134039074

IUPACN-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1cccc(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C17H17F2N/c1-20(11-13-6-4-8-15(18)17(13)19)16-10-9-12-5-2-3-7-14(12)16/h2-8,16H,9-11H2,1H3
InChIKeyQBVOKMUWFKLKOQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.08
Rot. Bonds3

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

N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 134039074) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID134039074
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1cccc(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C17H17F2N/c1-20(11-13-6-4-8-15(18)17(13)19)16-10-9-12-5-2-3-7-14(12)16/h2-8,16H,9-11H2,1H3
InChIKeyQBVOKMUWFKLKOQ-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 134043154
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
4-bromo-2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82977314
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653
N-[(4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792918
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79722348
N'-(2,3-dihydro-1H-inden-1-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79646356

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 134039074) is N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CN(Cc1cccc(F)c1F)C1CCc2ccccc21.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QBVOKMUWFKLKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-20(11-13-6-4-8-15(18)17(13)19)16-10-9-12-5-2-3-7-14(12)16/h2-8,16H,9-11H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134039074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).