1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine

C17H27FN2O — CID 63817597

IUPAC1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC(C)OCC2CC)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-14(19)8-13-6-7-17(16(18)9-13)20-10-12(3)21-11-15(20)5-2/h6-7,9,12,14-15H,4-5,8,10-11,19H2,1-3H3
InChIKeyYSAOKMQCJPLVFI-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine

1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine (PubChem CID 63817597) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
PubChem CID63817597
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CC(C)OCC2CC)c(F)c1
InChIInChI=1S/C17H27FN2O/c1-4-14(19)8-13-6-7-17(16(18)9-13)20-10-12(3)21-11-15(20)5-2/h6-7,9,12,14-15H,4-5,8,10-11,19H2,1-3H3
InChIKeyYSAOKMQCJPLVFI-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
CID 43578072
1-[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]butan-2-amine
CID 63787296
1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
CID 63786633
2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
CID 43578065
[4-(5-ethyl-2-methylmorpholin-4-yl)-3-methylphenyl]methanamine
CID 60929563
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575
1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-fluorophenyl]butan-2-amine
CID 82753152
2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
CID 66064888
1-[3-fluoro-4-(4-methylazepan-1-yl)phenyl]butan-2-amine
CID 63795206
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 43544700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine (CID 63817597) is 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine is CCC(N)Cc1ccc(N2CC(C)OCC2CC)c(F)c1.
What is the InChIKey of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine?
The InChIKey is YSAOKMQCJPLVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-14(19)8-13-6-7-17(16(18)9-13)20-10-12(3)21-11-15(20)5-2/h6-7,9,12,14-15H,4-5,8,10-11,19H2,1-3H3.
What are the key properties of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine?
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine has a molecular weight of 294.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine is sourced from PubChem (CID 63817597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).