N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine

C17H27FN2O — CID 79665908

IUPACN-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CN(CC)CCO1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-16(12-14-5-7-15(18)8-6-14)17-13-20(4-2)10-11-21-17/h5-8,16-17,19H,3-4,9-13H2,1-2H3
InChIKeyRRHJNDNBOSCTLH-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.46
Rot. Bonds7

About N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine

N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine (PubChem CID 79665908) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
PubChem CID79665908
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1)C1CN(CC)CCO1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-16(12-14-5-7-15(18)8-6-14)17-13-20(4-2)10-11-21-17/h5-8,16-17,19H,3-4,9-13H2,1-2H3
InChIKeyRRHJNDNBOSCTLH-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
N-[1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79662546
3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 79662541
3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79662549
N-[(2,6-difluorophenyl)-(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 79662548
2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 103040274
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
N-[2-cyclohexyl-1-(4-ethylmorpholin-2-yl)ethyl]propan-1-amine
CID 79668960

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine (CID 79665908) is N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1)C1CN(CC)CCO1.
What is the InChIKey of N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is RRHJNDNBOSCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-9-19-16(12-14-5-7-15(18)8-6-14)17-13-20(4-2)10-11-21-17/h5-8,16-17,19H,3-4,9-13H2,1-2H3.
What are the key properties of N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine?
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79665908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).