(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine

C13H18FN — CID 124565703

IUPAC(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H](F)[C@H]2N
InChIInChI=1S/C13H18FN/c1-13(2,3)9-4-5-10-8(6-9)7-11(14)12(10)15/h4-6,11-12H,7,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyNVXCKNSCWANVFB-NEPJUHHUSA-N
MW207.29 g/mol
LogP2.88
Rot. Bonds

About (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine

(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 124565703) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID124565703
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)c1ccc2c(c1)C[C@@H](F)[C@H]2N
InChIInChI=1S/C13H18FN/c1-13(2,3)9-4-5-10-8(6-9)7-11(14)12(10)15/h4-6,11-12H,7,15H2,1-3H3/t11-,12+/m1/s1
InChIKeyNVXCKNSCWANVFB-NEPJUHHUSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine (CID 124565703) is (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine is CC(C)(C)c1ccc2c(c1)C[C@@H](F)[C@H]2N.
What is the InChIKey of (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NVXCKNSCWANVFB-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(2,3)9-4-5-10-8(6-9)7-11(14)12(10)15/h4-6,11-12H,7,15H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 124565703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).