1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine

C13H18BrFN2O — CID 116956863

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
SMILESCNC(CC1CNCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-16-13(7-10-8-17-4-5-18-10)11-6-9(14)2-3-12(11)15/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3
InChIKeyIJYHJAGBNNADPA-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine (PubChem CID 116956863) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
PubChem CID116956863
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
SMILESCNC(CC1CNCCO1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2O/c1-16-13(7-10-8-17-4-5-18-10)11-6-9(14)2-3-12(11)15/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3
InChIKeyIJYHJAGBNNADPA-UHFFFAOYSA-N
XLogP2.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610
1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956852
1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
N-methyl-1-(4-methylphenyl)-2-morpholin-2-ylethanamine
CID 116956827
1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956912
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine (CID 116956863) is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine is CNC(CC1CNCCO1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The InChIKey is IJYHJAGBNNADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-16-13(7-10-8-17-4-5-18-10)11-6-9(14)2-3-12(11)15/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine has a molecular weight of 317.20 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine is sourced from PubChem (CID 116956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).