[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

C15H15F2N3 — CID 82545113

IUPAC[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1Cc1ccncc1
InChIInChI=1S/C15H15F2N3/c16-12-5-11-9-20(8-10-1-3-19-4-2-10)14(7-18)15(11)13(17)6-12/h1-6,14H,7-9,18H2
InChIKeyHSXYBHXTELZXFL-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.38
Rot. Bonds3

About [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545113) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545113
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1Cc1ccncc1
InChIInChI=1S/C15H15F2N3/c16-12-5-11-9-20(8-10-1-3-19-4-2-10)14(7-18)15(11)13(17)6-12/h1-6,14H,7-9,18H2
InChIKeyHSXYBHXTELZXFL-UHFFFAOYSA-N
XLogP2.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]-N,N-diethylpropan-1-amine
CID 82545086
7-chloro-2-[(4-chlorophenyl)methyl]-5-fluoro-1,3-dihydroisoindole-1-carbaldehyde
CID 174539901
6-amino-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-ol
CID 156640538
[2-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 105404068
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
(5,7-difluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 84768946
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
[2-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 107881906
[4,6-difluoro-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545028
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474

Frequently Asked Questions

What is the IUPAC name of [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545113) is [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2c(F)cc(F)cc2CN1Cc1ccncc1.
What is the InChIKey of [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is HSXYBHXTELZXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-12-5-11-9-20(8-10-1-3-19-4-2-10)14(7-18)15(11)13(17)6-12/h1-6,14H,7-9,18H2.
What are the key properties of [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 275.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).