4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine

C13H17F2N — CID 115760852

IUPAC4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CNC1CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H17F2N/c1-8(2)7-16-13-4-3-10-11(13)5-9(14)6-12(10)15/h5-6,8,13,16H,3-4,7H2,1-2H3
InChIKeyOFGQBPSBYIUWCH-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.20
Rot. Bonds3

About 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine

4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115760852) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115760852
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CNC1CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H17F2N/c1-8(2)7-16-13-4-3-10-11(13)5-9(14)6-12(10)15/h5-6,8,13,16H,3-4,7H2,1-2H3
InChIKeyOFGQBPSBYIUWCH-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906691
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943341
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
(1S)-5,7-difluoro-N-[(1-propan-2-yltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167974678
N-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropane-2-sulfinamide;molecular hydrogen
CID 144905149
6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383412
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 81296468
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
8-fluoro-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 105479525

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 115760852) is 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine is CC(C)CNC1CCc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OFGQBPSBYIUWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8(2)7-16-13-4-3-10-11(13)5-9(14)6-12(10)15/h5-6,8,13,16H,3-4,7H2,1-2H3.
What are the key properties of 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine?
4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115760852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).