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

C15H20FNO — CID 103917688

IUPACN-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOC1CC(NC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C15H20FNO/c1-2-18-13-8-12(9-13)17-15-6-3-10-7-11(16)4-5-14(10)15/h4-5,7,12-13,15,17H,2-3,6,8-9H2,1H3
InChIKeyITMPUNXXIZGFMD-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.97
Rot. Bonds4

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

N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 103917688) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID103917688
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCOC1CC(NC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C15H20FNO/c1-2-18-13-8-12(9-13)17-15-6-3-10-7-11(16)4-5-14(10)15/h4-5,7,12-13,15,17H,2-3,6,8-9H2,1H3
InChIKeyITMPUNXXIZGFMD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 103917688) is N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is CCOC1CC(NC2CCc3cc(F)ccc32)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ITMPUNXXIZGFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-2-18-13-8-12(9-13)17-15-6-3-10-7-11(16)4-5-14(10)15/h4-5,7,12-13,15,17H,2-3,6,8-9H2,1H3.
What are the key properties of N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103917688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).