(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

C12H15F2NO — CID 103845683

IUPAC(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C12H15F2NO/c1-7(6-16)15-11-5-2-8-9(13)3-4-10(14)12(8)11/h3-4,7,11,15-16H,2,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyWUKNDJQVGDTZFE-DKSCNQEISA-N
MW227.25 g/mol
LogP1.92
Rot. Bonds3

About (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol

(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (PubChem CID 103845683) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
PubChem CID103845683
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C12H15F2NO/c1-7(6-16)15-11-5-2-8-9(13)3-4-10(14)12(8)11/h3-4,7,11,15-16H,2,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyWUKNDJQVGDTZFE-DKSCNQEISA-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)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103778592
(1R)-7-bromo-4-fluoro-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 97073001
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 113348816
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol (CID 103845683) is (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is C[C@H](CO)NC1CCc2c(F)ccc(F)c21.
What is the InChIKey of (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
The InChIKey is WUKNDJQVGDTZFE-DKSCNQEISA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(6-16)15-11-5-2-8-9(13)3-4-10(14)12(8)11/h3-4,7,11,15-16H,2,5-6H2,1H3/t7-,11?/m1/s1.
What are the key properties of (2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol?
(2R)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-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)-2-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol is sourced from PubChem (CID 103845683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).