(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine

C16H16FN — CID 135061263

IUPAC(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESF[C@H]1Cc2ccccc2[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H16FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15-16,18H,10-11H2/t15-,16-/m0/s1
InChIKeyYXYVQPRYUQLNGQ-HOTGVXAUSA-N
MW241.31 g/mol
LogP3.41
Rot. Bonds3

About (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine

(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 135061263) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID135061263
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESF[C@H]1Cc2ccccc2[C@@H]1NCc1ccccc1
InChIInChI=1S/C16H16FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15-16,18H,10-11H2/t15-,16-/m0/s1
InChIKeyYXYVQPRYUQLNGQ-HOTGVXAUSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine (CID 135061263) is (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine is F[C@H]1Cc2ccccc2[C@@H]1NCc1ccccc1.
What is the InChIKey of (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YXYVQPRYUQLNGQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H16FN/c17-15-10-13-8-4-5-9-14(13)16(15)18-11-12-6-2-1-3-7-12/h1-9,15-16,18H,10-11H2/t15-,16-/m0/s1.
What are the key properties of (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N-benzyl-2-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 135061263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).