[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine

C22H21FN2O — CID 110450211

IUPAC[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(OCc3ccccc3)ccc2CN1c1ccccc1F
InChIInChI=1S/C22H21FN2O/c23-20-8-4-5-9-21(20)25-14-17-10-11-18(12-19(17)22(25)13-24)26-15-16-6-2-1-3-7-16/h1-12,22H,13-15,24H2
InChIKeyMXEYGQHAXIRSDV-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.42
Rot. Bonds5

About [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine

[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 110450211) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID110450211
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(OCc3ccccc3)ccc2CN1c1ccccc1F
InChIInChI=1S/C22H21FN2O/c23-20-8-4-5-9-21(20)25-14-17-10-11-18(12-19(17)22(25)13-24)26-15-16-6-2-1-3-7-16/h1-12,22H,13-15,24H2
InChIKeyMXEYGQHAXIRSDV-UHFFFAOYSA-N
XLogP4.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193
(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544336
(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 166626926
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
[2-(2-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545248
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450172
2-fluoro-1-nitroso-4-phenylmethoxybenzene
CID 123801524
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
2-amino-1-(3-phenylmethoxyphenyl)ethanol;6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 158159373

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine (CID 110450211) is [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(OCc3ccccc3)ccc2CN1c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MXEYGQHAXIRSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c23-20-8-4-5-9-21(20)25-14-17-10-11-18(12-19(17)22(25)13-24)26-15-16-6-2-1-3-7-16/h1-12,22H,13-15,24H2.
What are the key properties of [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine?
[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 348.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 110450211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).