N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C19H22FN — CID 116530861

IUPACN-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)c1ccccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C19H22FN/c1-19(2,3)16-6-4-5-7-18(16)21-17-11-8-13-12-14(20)9-10-15(13)17/h4-7,9-10,12,17,21H,8,11H2,1-3H3
InChIKeyAKIDTGRUTXCVEP-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.22
Rot. Bonds2

About N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116530861) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116530861
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)c1ccccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C19H22FN/c1-19(2,3)16-6-4-5-7-18(16)21-17-11-8-13-12-14(20)9-10-15(13)17/h4-7,9-10,12,17,21H,8,11H2,1-3H3
InChIKeyAKIDTGRUTXCVEP-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116530861) is N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is CC(C)(C)c1ccccc1NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AKIDTGRUTXCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-19(2,3)16-6-4-5-7-18(16)21-17-11-8-13-12-14(20)9-10-15(13)17/h4-7,9-10,12,17,21H,8,11H2,1-3H3.
What are the key properties of N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116530861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).