2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

C15H22ClFN2O — CID 103040274

IUPAC2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(F)c(Cl)c2)NC)C1
InChIInChI=1S/C15H22ClFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeySJJZISCUNADUJR-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.33
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine

2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (PubChem CID 103040274) has the molecular formula C15H22ClFN2O and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
PubChem CID103040274
Molecular FormulaC15H22ClFN2O
Molecular Weight300.80 g/mol
Exact Mass300.14
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
SMILESCCN1CCOC(C(Cc2ccc(F)c(Cl)c2)NC)C1
InChIInChI=1S/C15H22ClFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3
InChIKeySJJZISCUNADUJR-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79668869
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348139
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-ethylmorpholin-2-yl)ethanamine
CID 114856460
N-ethyl-1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79668876
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 79748739
N-[1-(4-ethylmorpholin-2-yl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79665908

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine (CID 103040274) is 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is CCN1CCOC(C(Cc2ccc(F)c(Cl)c2)NC)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
The InChIKey is SJJZISCUNADUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-3-19-6-7-20-15(10-19)14(18-2)9-11-4-5-13(17)12(16)8-11/h4-5,8,14-15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine?
2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine has a molecular weight of 300.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine is sourced from PubChem (CID 103040274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).