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

C15H22FN3O — CID 82545519

IUPAC[6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)ccc2CN1CCN1CCOCC1
InChIInChI=1S/C15H22FN3O/c16-13-2-1-12-11-19(15(10-17)14(12)9-13)4-3-18-5-7-20-8-6-18/h1-2,9,15H,3-8,10-11,17H2
InChIKeyWXCNSDCGAXFLHB-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.97
Rot. Bonds4

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

[6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545519) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545519
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name[6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)ccc2CN1CCN1CCOCC1
InChIInChI=1S/C15H22FN3O/c16-13-2-1-12-11-19(15(10-17)14(12)9-13)4-3-18-5-7-20-8-6-18/h1-2,9,15H,3-8,10-11,17H2
InChIKeyWXCNSDCGAXFLHB-UHFFFAOYSA-N
XLogP0.97
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127049763
Isoindoline, 2-(3-morpholinopropyl)-
CID 18524

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545519) is [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(F)ccc2CN1CCN1CCOCC1.
What is the InChIKey of [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is WXCNSDCGAXFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-13-2-1-12-11-19(15(10-17)14(12)9-13)4-3-18-5-7-20-8-6-18/h1-2,9,15H,3-8,10-11,17H2.
What are the key properties of [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 279.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).