[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine

C17H20N2 — CID 82545249

IUPAC[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2ccccc2CN1CCc1ccccc1
InChIInChI=1S/C17H20N2/c18-12-17-16-9-5-4-8-15(16)13-19(17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,18H2
InChIKeyFOVAQODVYPSZBN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.74
Rot. Bonds4

About [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine

[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545249) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545249
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2ccccc2CN1CCc1ccccc1
InChIInChI=1S/C17H20N2/c18-12-17-16-9-5-4-8-15(16)13-19(17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,18H2
InChIKeyFOVAQODVYPSZBN-UHFFFAOYSA-N
XLogP2.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545249) is [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2ccccc2CN1CCc1ccccc1.
What is the InChIKey of [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is FOVAQODVYPSZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-12-17-16-9-5-4-8-15(16)13-19(17)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13,18H2.
What are the key properties of [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).