[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine

C20H19FN2 — CID 110449747

IUPAC[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
SMILESNCC1c2ccc3ccccc3c2CN1Cc1ccccc1F
InChIInChI=1S/C20H19FN2/c21-19-8-4-2-6-15(19)12-23-13-18-16-7-3-1-5-14(16)9-10-17(18)20(23)11-22/h1-10,20H,11-13,22H2
InChIKeyYUEYZNCXDPRXGQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.99
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine

[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine (PubChem CID 110449747) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
PubChem CID110449747
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
SMILESNCC1c2ccc3ccccc3c2CN1Cc1ccccc1F
InChIInChI=1S/C20H19FN2/c21-19-8-4-2-6-15(19)12-23-13-18-16-7-3-1-5-14(16)9-10-17(18)20(23)11-22/h1-10,20H,11-13,22H2
InChIKeyYUEYZNCXDPRXGQ-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine (CID 110449747) is [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine is NCC1c2ccc3ccccc3c2CN1Cc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
The InChIKey is YUEYZNCXDPRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-19-8-4-2-6-15(19)12-23-13-18-16-7-3-1-5-14(16)9-10-17(18)20(23)11-22/h1-10,20H,11-13,22H2.
What are the key properties of [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine?
[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine has a molecular weight of 306.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine is sourced from PubChem (CID 110449747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).