2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

C16H24F2N2O — CID 79663311

IUPAC2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H24F2N2O/c1-11(2)20-7-8-21-15(10-20)14(19-3)9-12-5-4-6-13(17)16(12)18/h4-6,11,14-15,19H,7-10H2,1-3H3
InChIKeyCQUKFSYEVNOUPO-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.20
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine

2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (PubChem CID 79663311) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
PubChem CID79663311
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
SMILESCNC(Cc1cccc(F)c1F)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H24F2N2O/c1-11(2)20-7-8-21-15(10-20)14(19-3)9-12-5-4-6-13(17)16(12)18/h4-6,11,14-15,19H,7-10H2,1-3H3
InChIKeyCQUKFSYEVNOUPO-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-difluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 105248189
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
2-(4-fluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79663116
[2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 102867978
3-[2-(methylamino)-2-(4-propan-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 79665586
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
(2,6-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanol
CID 79664477
2-(2,6-difluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 114932414
N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665752
2-(2,3-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334965
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine
CID 79664293

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine (CID 79663311) is 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is CNC(Cc1cccc(F)c1F)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
The InChIKey is CQUKFSYEVNOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11(2)20-7-8-21-15(10-20)14(19-3)9-12-5-4-6-13(17)16(12)18/h4-6,11,14-15,19H,7-10H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine?
2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79663311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).