1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine

C17H27BrN2O — CID 82955018

IUPAC1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CC(C)OCC1CC
InChIInChI=1S/C17H27BrN2O/c1-5-15-11-21-12(3)10-20(15)17-8-7-14(18)9-16(17)13(4)19-6-2/h7-9,12-13,15,19H,5-6,10-11H2,1-4H3
InChIKeySHVYONJSMQYDEM-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.12
Rot. Bonds5

About 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine (PubChem CID 82955018) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine
PubChem CID82955018
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1N1CC(C)OCC1CC
InChIInChI=1S/C17H27BrN2O/c1-5-15-11-21-12(3)10-20(15)17-8-7-14(18)9-16(17)13(4)19-6-2/h7-9,12-13,15,19H,5-6,10-11H2,1-4H3
InChIKeySHVYONJSMQYDEM-UHFFFAOYSA-N
XLogP4.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 82971718
N-[1-[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 61424244
[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol
CID 61424491
4-[2-(bromomethyl)-4-methylphenyl]-5-ethyl-2-methylmorpholine
CID 114054613
3-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)benzonitrile
CID 82797068
5-(2,5-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600512
1-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958887
4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
CID 43578072
N-[1-[5-bromo-2-(2,6-dimethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 82954401
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[4-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylethanamine
CID 82968326

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine (CID 82955018) is 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1N1CC(C)OCC1CC.
What is the InChIKey of 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine?
The InChIKey is SHVYONJSMQYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-5-15-11-21-12(3)10-20(15)17-8-7-14(18)9-16(17)13(4)19-6-2/h7-9,12-13,15,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine has a molecular weight of 355.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82955018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).