1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine

C15H23BrN2O2 — CID 79182209

IUPAC1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C15H23BrN2O2/c1-11(17)7-12-8-13(16)3-4-15(12)20-10-14-9-18(2)5-6-19-14/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3
InChIKeyNFLZZDDAEFOUOY-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.05
Rot. Bonds5

About 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine

1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine (PubChem CID 79182209) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
PubChem CID79182209
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C15H23BrN2O2/c1-11(17)7-12-8-13(16)3-4-15(12)20-10-14-9-18(2)5-6-19-14/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3
InChIKeyNFLZZDDAEFOUOY-UHFFFAOYSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
(1R)-1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79172537
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 102946269
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
2-[(2-bromo-3-pyridinyl)oxymethyl]-4-methylmorpholine
CID 79171247

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine (CID 79182209) is 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1OCC1CN(C)CCO1.
What is the InChIKey of 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is NFLZZDDAEFOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(17)7-12-8-13(16)3-4-15(12)20-10-14-9-18(2)5-6-19-14/h3-4,8,11,14H,5-7,9-10,17H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine?
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 343.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 79182209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).