N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

C16H24ClFN2O — CID 115983887

IUPACN-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)C1CN(C)CCO1
InChIInChI=1S/C16H24ClFN2O/c1-3-7-19-14(15-11-20(2)8-9-21-15)10-12-5-4-6-13(18)16(12)17/h4-6,14-15,19H,3,7-11H2,1-2H3
InChIKeyBLELINPRBYSQHR-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 115983887) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID115983887
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC NameN-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)C1CN(C)CCO1
InChIInChI=1S/C16H24ClFN2O/c1-3-7-19-14(15-11-20(2)8-9-21-15)10-12-5-4-6-13(18)16(12)17/h4-6,14-15,19H,3,7-11H2,1-2H3
InChIKeyBLELINPRBYSQHR-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
CID 79093470
5,5,5-trifluoro-1-(4-methylmorpholin-2-yl)-N-propylpentan-1-amine
CID 115517290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (CID 115983887) is N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1Cl)C1CN(C)CCO1.
What is the InChIKey of N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is BLELINPRBYSQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-3-7-19-14(15-11-20(2)8-9-21-15)10-12-5-4-6-13(18)16(12)17/h4-6,14-15,19H,3,7-11H2,1-2H3.
What are the key properties of N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 314.83 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115983887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).