N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

C17H27FN2O — CID 79051761

IUPACN-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1ccccc1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(13-14-7-5-6-8-15(14)18)17(2,3)20-9-11-21-12-10-20/h5-8,16,19H,4,9-13H2,1-3H3
InChIKeyUAENHRRPWJYGQF-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine

N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79051761) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79051761
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCNC(Cc1ccccc1F)C(C)(C)N1CCOCC1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(13-14-7-5-6-8-15(14)18)17(2,3)20-9-11-21-12-10-20/h5-8,16,19H,4,9-13H2,1-3H3
InChIKeyUAENHRRPWJYGQF-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

[1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241498
1-(2-fluorophenyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 79057627
N-ethyl-1-(3-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052240
N-ethyl-1-(furan-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 83176070
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051927
3-(azepan-1-yl)-1-(2-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 79051510
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051250
N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
CID 79762004
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
(4-methyl-4-morpholin-4-yl-1-phenylpentan-3-yl)hydrazine
CID 105240046
1-ethoxy-N-ethyl-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79575615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 79051761) is N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is CCNC(Cc1ccccc1F)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is UAENHRRPWJYGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-16(13-14-7-5-6-8-15(14)18)17(2,3)20-9-11-21-12-10-20/h5-8,16,19H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 294.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79051761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).