N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine

C16H24ClFN2O — CID 105395250

IUPACN-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H24ClFN2O/c1-3-7-20-8-9-21-15(11-20)16(19-4-2)13-10-12(18)5-6-14(13)17/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3
InChIKeyCNEIKLKVBPCABA-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.24
Rot. Bonds6

About N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine (PubChem CID 105395250) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
PubChem CID105395250
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
SMILESCCCN1CCOC(C(NCC)c2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H24ClFN2O/c1-3-7-20-8-9-21-15(11-20)16(19-4-2)13-10-12(18)5-6-14(13)17/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3
InChIKeyCNEIKLKVBPCABA-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2,5-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247885
N-[(3-chloro-4-methylphenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 107560521
[(5-fluoro-2-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247795
[(3,4-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247889
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
N-[(3-methyltriazol-4-yl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 114688561
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
[(4-bromo-3-chloro-2-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 106765331
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine (CID 105395250) is N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine is CCCN1CCOC(C(NCC)c2cc(F)ccc2Cl)C1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is CNEIKLKVBPCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-3-7-20-8-9-21-15(11-20)16(19-4-2)13-10-12(18)5-6-14(13)17/h5-6,10,15-16,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 314.83 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105395250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).