(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

C12H15F2NO — CID 103906691

IUPAC(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2NO/c1-7(16)6-15-12-3-2-9-10(12)4-8(13)5-11(9)14/h4-5,7,12,15-16H,2-3,6H2,1H3/t7-,12?/m1/s1
InChIKeyIUCNAPDFIZUYFD-OJYJAAIMSA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds3

About (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 103906691) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID103906691
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2NO/c1-7(16)6-15-12-3-2-9-10(12)4-8(13)5-11(9)14/h4-5,7,12,15-16H,2-3,6H2,1H3/t7-,12?/m1/s1
InChIKeyIUCNAPDFIZUYFD-OJYJAAIMSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol with MolForge

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Related Compounds

4,6-difluoro-N-(2-methylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115760852
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
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
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
(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
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 103906691) is (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is C[C@@H](O)CNC1CCc2c(F)cc(F)cc21.
What is the InChIKey of (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is IUCNAPDFIZUYFD-OJYJAAIMSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(16)6-15-12-3-2-9-10(12)4-8(13)5-11(9)14/h4-5,7,12,15-16H,2-3,6H2,1H3/t7-,12?/m1/s1.
What are the key properties of (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 227.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 103906691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).