1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

C16H25BrN2O2 — CID 115899774

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNC(C)c2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyUOYJDRBVZFKGEY-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.83
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine

1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (PubChem CID 115899774) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
PubChem CID115899774
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
SMILESCCN1CCOC(CNC(C)c2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H25BrN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyUOYJDRBVZFKGEY-UHFFFAOYSA-N
XLogP2.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
1-(3-bromo-4-methoxyphenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 60857351
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 112802028
4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
1-(3-bromo-4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207365
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113353975
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine (CID 115899774) is 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is CCN1CCOC(CNC(C)c2ccc(OC)c(Br)c2)C1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is UOYJDRBVZFKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-4-19-7-8-21-14(11-19)10-18-12(2)13-5-6-16(20-3)15(17)9-13/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 357.29 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115899774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).