2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine

C16H17FN2 — CID 62204806

IUPAC2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c17-15-7-5-12(6-8-15)16(9-18)19-10-13-3-1-2-4-14(13)11-19/h1-8,16H,9-11,18H2
InChIKeyIUYLOONYXZEAMY-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine

2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 62204806) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID62204806
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c17-15-7-5-12(6-8-15)16(9-18)19-10-13-3-1-2-4-14(13)11-19/h1-8,16H,9-11,18H2
InChIKeyIUYLOONYXZEAMY-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine (CID 62204806) is 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine is NCC(c1ccc(F)cc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is IUYLOONYXZEAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-15-7-5-12(6-8-15)16(9-18)19-10-13-3-1-2-4-14(13)11-19/h1-8,16H,9-11,18H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine?
2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 256.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 62204806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).