N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

C18H20FNO — CID 116530961

IUPACN-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1cc(C)ccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C18H20FNO/c1-3-21-18-10-12(2)4-8-17(18)20-16-9-5-13-11-14(19)6-7-15(13)16/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3
InChIKeyYYRAFBVUSVOCOB-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.63
Rot. Bonds4

About N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 116530961) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID116530961
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1cc(C)ccc1NC1CCc2cc(F)ccc21
InChIInChI=1S/C18H20FNO/c1-3-21-18-10-12(2)4-8-17(18)20-16-9-5-13-11-14(19)6-7-15(13)16/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3
InChIKeyYYRAFBVUSVOCOB-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 116530961) is N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCOc1cc(C)ccc1NC1CCc2cc(F)ccc21.
What is the InChIKey of N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YYRAFBVUSVOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-21-18-10-12(2)4-8-17(18)20-16-9-5-13-11-14(19)6-7-15(13)16/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3.
What are the key properties of N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116530961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).