1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine

C17H27FN2O — CID 102745807

IUPAC1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C17H27FN2O/c1-16(2)11-20(12-17(3,4)21-16)9-8-15(19)13-6-5-7-14(18)10-13/h5-7,10,15H,8-9,11-12,19H2,1-4H3
InChIKeyURYQIXPKNMTXID-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine

1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine (PubChem CID 102745807) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
PubChem CID102745807
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2cccc(F)c2)CC(C)(C)O1
InChIInChI=1S/C17H27FN2O/c1-16(2)11-20(12-17(3,4)21-16)9-8-15(19)13-6-5-7-14(18)10-13/h5-7,10,15H,8-9,11-12,19H2,1-4H3
InChIKeyURYQIXPKNMTXID-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102745806
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
3-(4-butan-2-ylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62774063
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 63151563
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-fluorophenyl)propan-1-amine
CID 62643280
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589034
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine (CID 102745807) is 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine is CC1(C)CN(CCC(N)c2cccc(F)c2)CC(C)(C)O1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The InChIKey is URYQIXPKNMTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-16(2)11-20(12-17(3,4)21-16)9-8-15(19)13-6-5-7-14(18)10-13/h5-7,10,15H,8-9,11-12,19H2,1-4H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 102745807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).