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

C15H21F2N3 — CID 82545103

IUPAC[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN1CCC(N2Cc3cc(F)cc(F)c3C2CN)CC1
InChIInChI=1S/C15H21F2N3/c1-19-4-2-12(3-5-19)20-9-10-6-11(16)7-13(17)15(10)14(20)8-18/h6-7,12,14H,2-5,8-9,18H2,1H3
InChIKeyMCCBKIPELJELHV-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.87
Rot. Bonds2

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

[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545103) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545103
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN1CCC(N2Cc3cc(F)cc(F)c3C2CN)CC1
InChIInChI=1S/C15H21F2N3/c1-19-4-2-12(3-5-19)20-9-10-6-11(16)7-13(17)15(10)14(20)8-18/h6-7,12,14H,2-5,8-9,18H2,1H3
InChIKeyMCCBKIPELJELHV-UHFFFAOYSA-N
XLogP1.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132
[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545535
(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545082
3-[1-(aminomethyl)-5,7-difluoro-1,3-dihydroisoindol-2-yl]-N,N-diethylpropan-1-amine
CID 82545086
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
[5,7-difluoro-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449617
[5,7-difluoro-2-(pyridin-4-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545113
(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(5,7-difluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 84768946
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 84781691
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545103) is [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine is CN1CCC(N2Cc3cc(F)cc(F)c3C2CN)CC1.
What is the InChIKey of [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is MCCBKIPELJELHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-19-4-2-12(3-5-19)20-9-10-6-11(16)7-13(17)15(10)14(20)8-18/h6-7,12,14H,2-5,8-9,18H2,1H3.
What are the key properties of [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 281.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).