[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine

C16H24FN3O — CID 82545503

IUPAC[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)ccc2CN1CCCN1CCOCC1
InChIInChI=1S/C16H24FN3O/c17-14-3-2-13-12-20(16(11-18)15(13)10-14)5-1-4-19-6-8-21-9-7-19/h2-3,10,16H,1,4-9,11-12,18H2
InChIKeyFDRCIKCKDCWZCK-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.36
Rot. Bonds5

About [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine

[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545503) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545503
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)ccc2CN1CCCN1CCOCC1
InChIInChI=1S/C16H24FN3O/c17-14-3-2-13-12-20(16(11-18)15(13)10-14)5-1-4-19-6-8-21-9-7-19/h2-3,10,16H,1,4-9,11-12,18H2
InChIKeyFDRCIKCKDCWZCK-UHFFFAOYSA-N
XLogP1.36
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-trifluoromethyl-benzyl)-amine
CID 11301893
(S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441350
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
rac-(4aR,7aS)-4-benzyl-octahydropyrrolo[3,4-b]morpholine
CID 10856960
(4-Fluoro-benzyl)-(2-morpholin-4-yl-ethyl)-amine
CID 3152376

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545503) is [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(F)ccc2CN1CCCN1CCOCC1.
What is the InChIKey of [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is FDRCIKCKDCWZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-14-3-2-13-12-20(16(11-18)15(13)10-14)5-1-4-19-6-8-21-9-7-19/h2-3,10,16H,1,4-9,11-12,18H2.
What are the key properties of [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 293.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(3-morpholin-4-ylpropyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).