1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine

C13H18BrFN2O — CID 57489053

IUPAC1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine
SMILESCNC(CN1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O/c1-16-13(9-17-4-6-18-7-5-17)10-2-3-11(14)12(15)8-10/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyFZGCOJJBBKHQIO-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine

1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 57489053) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine
PubChem CID57489053
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine
SMILESCNC(CN1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H18BrFN2O/c1-16-13(9-17-4-6-18-7-5-17)10-2-3-11(14)12(15)8-10/h2-3,8,13,16H,4-7,9H2,1H3
InChIKeyFZGCOJJBBKHQIO-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine (CID 57489053) is 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine is CNC(CN1CCOCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is FZGCOJJBBKHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-16-13(9-17-4-6-18-7-5-17)10-2-3-11(14)12(15)8-10/h2-3,8,13,16H,4-7,9H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine?
1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 317.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 57489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).