N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

C20H24BrFN2O2 — CID 47008151

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2cc(Br)ccc2F)N2CCOCC2)cc1
InChIInChI=1S/C20H24BrFN2O2/c1-25-18-5-2-15(3-6-18)20(24-8-10-26-11-9-24)14-23-13-16-12-17(21)4-7-19(16)22/h2-7,12,20,23H,8-11,13-14H2,1H3
InChIKeyJXPXGHKXGVCQEC-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.76
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine

N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 47008151) has the molecular formula C20H24BrFN2O2 and a molecular weight of 423.33 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID47008151
Molecular FormulaC20H24BrFN2O2
Molecular Weight423.33 g/mol
Exact Mass422.10
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CNCc2cc(Br)ccc2F)N2CCOCC2)cc1
InChIInChI=1S/C20H24BrFN2O2/c1-25-18-5-2-15(3-6-18)20(24-8-10-26-11-9-24)14-23-13-16-12-17(21)4-7-19(16)22/h2-7,12,20,23H,8-11,13-14H2,1H3
InChIKeyJXPXGHKXGVCQEC-UHFFFAOYSA-N
XLogP3.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 55378168
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
(2R)-2-(4-methoxyphenyl)-N-[(1-methylimidazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 100675598
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 78809599
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 94822423
3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide
CID 158930249
1-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111309544
2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60590059
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
3-chloro-2-[[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]methyl]-N,N-dimethylaniline
CID 97060803

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine (CID 47008151) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CNCc2cc(Br)ccc2F)N2CCOCC2)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is JXPXGHKXGVCQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O2/c1-25-18-5-2-15(3-6-18)20(24-8-10-26-11-9-24)14-23-13-16-12-17(21)4-7-19(16)22/h2-7,12,20,23H,8-11,13-14H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 423.33 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 47008151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).