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

C13H18FNO — CID 103906465

IUPAC(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCC1Cc2ccc(F)cc2C1NC[C@H](C)O
InChIInChI=1S/C13H18FNO/c1-8-5-10-3-4-11(14)6-12(10)13(8)15-7-9(2)16/h3-4,6,8-9,13,15-16H,5,7H2,1-2H3/t8?,9-,13?/m0/s1
InChIKeyRNIMCAJZEWLBCE-JVVWGOMOSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds3

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

(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (PubChem CID 103906465) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
PubChem CID103906465
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
SMILESCC1Cc2ccc(F)cc2C1NC[C@H](C)O
InChIInChI=1S/C13H18FNO/c1-8-5-10-3-4-11(14)6-12(10)13(8)15-7-9(2)16/h3-4,6,8-9,13,15-16H,5,7H2,1-2H3/t8?,9-,13?/m0/s1
InChIKeyRNIMCAJZEWLBCE-JVVWGOMOSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol (CID 103906465) is (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is CC1Cc2ccc(F)cc2C1NC[C@H](C)O.
What is the InChIKey of (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
The InChIKey is RNIMCAJZEWLBCE-JVVWGOMOSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8-5-10-3-4-11(14)6-12(10)13(8)15-7-9(2)16/h3-4,6,8-9,13,15-16H,5,7H2,1-2H3/t8?,9-,13?/m0/s1.
What are the key properties of (2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol?
(2S)-1-[(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol has a molecular weight of 223.29 g/mol, XLogP of 2.03, 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-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol is sourced from PubChem (CID 103906465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).