(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

C12H16FNO — CID 103906577

IUPAC(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@H](O)CNC1CCc2ccc(F)cc21
InChIInChI=1S/C12H16FNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m0/s1
InChIKeyLMZUZVQYAKJPCH-KBPLZSHQSA-N
MW209.26 g/mol
LogP1.78
Rot. Bonds3

About (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol

(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 103906577) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID103906577
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESC[C@H](O)CNC1CCc2ccc(F)cc21
InChIInChI=1S/C12H16FNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m0/s1
InChIKeyLMZUZVQYAKJPCH-KBPLZSHQSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906751
(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229562
(1S)-2-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229560
(2R)-1-[(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906691
(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480854
1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260462
(2R)-1-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 97322714
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 103906577) is (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is C[C@H](O)CNC1CCc2ccc(F)cc21.
What is the InChIKey of (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is LMZUZVQYAKJPCH-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(15)7-14-12-5-3-9-2-4-10(13)6-11(9)12/h2,4,6,8,12,14-15H,3,5,7H2,1H3/t8-,12?/m0/s1.
What are the key properties of (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 209.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 103906577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).