1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C15H22BrFN2O — CID 106645880

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cccc(Br)c2F)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-7-19-8-9-20-13(10-19)15(18-2)11-5-4-6-12(16)14(11)17/h4-6,13,15,18H,3,7-10H2,1-2H3
InChIKeyMLFWKANCFOOYFL-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.96
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 106645880) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID106645880
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cccc(Br)c2F)C1
InChIInChI=1S/C15H22BrFN2O/c1-3-7-19-8-9-20-13(10-19)15(18-2)11-5-4-6-12(16)14(11)17/h4-6,13,15,18H,3,7-10H2,1-2H3
InChIKeyMLFWKANCFOOYFL-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-propylmorpholin-2-yl)methanamine
CID 79739511
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79675911
1-(2-ethoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79663982
[(4-bromo-3-chloro-2-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 106765331
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-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 114657829
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
1-(4-ethylmorpholin-2-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 79666959
N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
CID 79676101
[(3-bromothiophen-2-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247967

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 106645880) is 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2cccc(Br)c2F)C1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is MLFWKANCFOOYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-3-7-19-8-9-20-13(10-19)15(18-2)11-5-4-6-12(16)14(11)17/h4-6,13,15,18H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(3-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-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 106645880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).