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

C15H21F2N3O — CID 82545026

IUPAC[4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)cc(F)c2CN1CCN1CCOCC1
InChIInChI=1S/C15H21F2N3O/c16-11-7-12-13(14(17)8-11)10-20(15(12)9-18)2-1-19-3-5-21-6-4-19/h7-8,15H,1-6,9-10,18H2
InChIKeyKNANLCANKZHFHN-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.11
Rot. Bonds4

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

[4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545026) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545026
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name[4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2cc(F)cc(F)c2CN1CCN1CCOCC1
InChIInChI=1S/C15H21F2N3O/c16-11-7-12-13(14(17)8-11)10-20(15(12)9-18)2-1-19-3-5-21-6-4-19/h7-8,15H,1-6,9-10,18H2
InChIKeyKNANLCANKZHFHN-UHFFFAOYSA-N
XLogP1.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.11
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
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 [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545026) is [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2cc(F)cc(F)c2CN1CCN1CCOCC1.
What is the InChIKey of [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is KNANLCANKZHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c16-11-7-12-13(14(17)8-11)10-20(15(12)9-18)2-1-19-3-5-21-6-4-19/h7-8,15H,1-6,9-10,18H2.
What are the key properties of [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 297.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-difluoro-2-(2-morpholin-4-ylethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).