N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C16H23FN2 — CID 81302172

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN1CCCC1CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H23FN2/c1-2-19-10-4-5-12(19)11-18-16-9-8-13-14(16)6-3-7-15(13)17/h3,6-7,12,16,18H,2,4-5,8-11H2,1H3
InChIKeyZURPHBOBUIDJEY-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.89
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 81302172) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID81302172
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN1CCCC1CNC1CCc2c(F)cccc21
InChIInChI=1S/C16H23FN2/c1-2-19-10-4-5-12(19)11-18-16-9-8-13-14(16)6-3-7-15(13)17/h3,6-7,12,16,18H,2,4-5,8-11H2,1H3
InChIKeyZURPHBOBUIDJEY-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 81302172) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCN1CCCC1CNC1CCc2c(F)cccc21.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZURPHBOBUIDJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-19-10-4-5-12(19)11-18-16-9-8-13-14(16)6-3-7-15(13)17/h3,6-7,12,16,18H,2,4-5,8-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 262.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81302172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).