2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine

C15H23BrN2O — CID 79093554

IUPAC2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1CN(C)CCO1
InChIInChI=1S/C15H23BrN2O/c1-3-17-14(15-11-18(2)7-8-19-15)10-12-5-4-6-13(16)9-12/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyWBVQIQNYNRPFRY-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.30
Rot. Bonds5

About 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine

2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79093554) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79093554
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Br)c1)C1CN(C)CCO1
InChIInChI=1S/C15H23BrN2O/c1-3-17-14(15-11-18(2)7-8-19-15)10-12-5-4-6-13(16)9-12/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyWBVQIQNYNRPFRY-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093851
N-ethyl-2-(4-ethylphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093945
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79094980
N-ethyl-2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79663996
N-ethyl-2-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665752
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
N-ethyl-1-(4-methylmorpholin-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79093263
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79826726
2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79659510
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine (CID 79093554) is 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine is CCNC(Cc1cccc(Br)c1)C1CN(C)CCO1.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is WBVQIQNYNRPFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-17-14(15-11-18(2)7-8-19-15)10-12-5-4-6-13(16)9-12/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79093554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).