N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

C17H27FN2O — CID 79665752

IUPACN-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(11-14-6-5-7-15(18)10-14)17-12-20(13(2)3)8-9-21-17/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3
InChIKeyGCSOACNYDQFYEU-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 79665752) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
PubChem CID79665752
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C17H27FN2O/c1-4-19-16(11-14-6-5-7-15(18)10-14)17-12-20(13(2)3)8-9-21-17/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3
InChIKeyGCSOACNYDQFYEU-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

N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665184
N-ethyl-1-(4-propan-2-ylmorpholin-2-yl)-2-pyridin-3-ylethanamine
CID 104736588
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663116
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093554
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
N,3-diethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 82923183
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663311
N-ethyl-2-(4-ethylphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093945
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (CID 79665752) is N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is CCNC(Cc1cccc(F)c1)C1CN(C(C)C)CCO1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is GCSOACNYDQFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-19-16(11-14-6-5-7-15(18)10-14)17-12-20(13(2)3)8-9-21-17/h5-7,10,13,16-17,19H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine 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-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79665752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).