1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C15H22BrFN2O — CID 79739511

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cc(Br)ccc2F)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-6-19-7-8-20-14(10-19)15(18-2)12-9-11(16)4-5-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyCASKBKFIRFPMBJ-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.96
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79739511) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID79739511
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cc(Br)ccc2F)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-6-19-7-8-20-14(10-19)15(18-2)12-9-11(16)4-5-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyCASKBKFIRFPMBJ-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79739614
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79675911
[(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244468
2-(5-bromo-2-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79667132
[(4-fluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247799
1-(2-ethoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79663982
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
CID 79657622
2-(2,6-difluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 114932414
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
[(2,5-dichlorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247885

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 79739511) is 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2cc(Br)ccc2F)C1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is CASKBKFIRFPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-3-6-19-7-8-20-14(10-19)15(18-2)12-9-11(16)4-5-13(12)17/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 345.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79739511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).