N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline

C17H17F2N — CID 82818653

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C17H17F2N/c1-11-5-8-15(18)17(16(11)19)20-10-12-6-7-13-3-2-4-14(13)9-12/h5-9,20H,2-4,10H2,1H3
InChIKeyGAQUQZKJLGPLLC-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.37
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline (PubChem CID 82818653) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
PubChem CID82818653
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C17H17F2N/c1-11-5-8-15(18)17(16(11)19)20-10-12-6-7-13-3-2-4-14(13)9-12/h5-9,20H,2-4,10H2,1H3
InChIKeyGAQUQZKJLGPLLC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913
2,6-difluoro-3-methyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 82818771
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
CID 82815523
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-difluoroaniline
CID 107610897

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline (CID 82818653) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NCc2ccc3c(c2)CCC3)c1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline?
The InChIKey is GAQUQZKJLGPLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-5-8-15(18)17(16(11)19)20-10-12-6-7-13-3-2-4-14(13)9-12/h5-9,20H,2-4,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline has a molecular weight of 273.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 82818653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).